N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

C152H136Cl4F2N30O12 — CID 157283549

IUPACN-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
SMILESCC1CN=C(Cc2ccc3ncnc(Nc4ccc(OCc5cncc(F)c5)c(Cl)c4)c3c2)O1.CC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cncc(F)c5)c(Cl)c4)c3c2)=N1.C[C@@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.C[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@@H](C)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@H](C)CO5)cc34)cc2C)cn1
InChIInChI=1S/2C26H25N5O2.2C25H21ClFN5O2.2C25H22ClN5O2/c2*1-16-10-20(6-9-24(16)33-21-7-4-17(2)27-13-21)31-26-22-11-19(5-8-23(22)28-15-29-26)12-25-30-18(3)14-32-25;1-15-12-34-24(31-15)8-16-2-4-22-20(7-16)25(30-14-29-22)32-19-3-5-23(21(26)9-19)33-13-17-6-18(27)11-28-10-17;1-15-10-29-24(34-15)8-16-2-4-22-20(7-16)25(31-14-30-22)32-19-3-5-23(21(26)9-19)33-13-17-6-18(27)12-28-11-17;2*1-16-13-33-24(30-16)11-17-5-7-22-20(10-17)25(29-15-28-22)31-18-6-8-23(21(26)12-18)32-14-19-4-2-3-9-27-19/h2*4-11,13,15,18H,12,14H2,1-3H3,(H,28,29,31);2-7,9-11,14-15H,8,12-13H2,1H3,(H,29,30,32);2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,30,31,32);2*2-10,12,15-16H,11,13-14H2,1H3,(H,28,29,31)/t2*18-;;;2*16-/m10..10/s1
InChIKeyAZYNOAVEFKZBAY-SGHVPVMJSA-N
MW2754.77 g/mol
LogP32.79
Rot. Bonds40

About N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (PubChem CID 157283549) has the molecular formula C152H136Cl4F2N30O12 and a molecular weight of 2754.77 g/mol. Its IUPAC name is N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
PubChem CID157283549
Molecular FormulaC152H136Cl4F2N30O12
Molecular Weight2754.77 g/mol
Exact Mass2750.97
IUPAC NameN-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
SMILESCC1CN=C(Cc2ccc3ncnc(Nc4ccc(OCc5cncc(F)c5)c(Cl)c4)c3c2)O1.CC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cncc(F)c5)c(Cl)c4)c3c2)=N1.C[C@@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.C[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@@H](C)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@H](C)CO5)cc34)cc2C)cn1
InChIInChI=1S/2C26H25N5O2.2C25H21ClFN5O2.2C25H22ClN5O2/c2*1-16-10-20(6-9-24(16)33-21-7-4-17(2)27-13-21)31-26-22-11-19(5-8-23(22)28-15-29-26)12-25-30-18(3)14-32-25;1-15-12-34-24(31-15)8-16-2-4-22-20(7-16)25(30-14-29-22)32-19-3-5-23(21(26)9-19)33-13-17-6-18(27)11-28-10-17;1-15-10-29-24(34-15)8-16-2-4-22-20(7-16)25(31-14-30-22)32-19-3-5-23(21(26)9-19)33-13-17-6-18(27)12-28-11-17;2*1-16-13-33-24(30-16)11-17-5-7-22-20(10-17)25(29-15-28-22)31-18-6-8-23(21(26)12-18)32-14-19-4-2-3-9-27-19/h2*4-11,13,15,18H,12,14H2,1-3H3,(H,28,29,31);2-7,9-11,14-15H,8,12-13H2,1H3,(H,29,30,32);2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,30,31,32);2*2-10,12,15-16H,11,13-14H2,1H3,(H,28,29,31)/t2*18-;;;2*16-/m10..10/s1
InChIKeyAZYNOAVEFKZBAY-SGHVPVMJSA-N
XLogP32.79
TPSA489.12 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds40
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002754.77
LogP ≤ 532.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Analyze N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine
CID 71663312
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine
CID 127035117
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-morpholin-4-ylpyrimidin-2-yl)quinazolin-4-amine
CID 145952005
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(2-morpholin-4-ylpyrimidin-4-yl)quinazolin-4-amine
CID 145974775
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine
CID 71662068
Lapatinib metabolite M2 [dmd]
CID 118753051
N-[5-chloro-2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68885972
2-[[1-[2-[[4-[3-Chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methylidene]hydrazinyl]-2-methoxyethylidene]amino]-2-methoxy-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methylideneamino]ethanimidamide
CID 87394178
(2S)-1-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyrrol-1-yl]-3-(4-piperidin-1-ylpiperidin-1-yl)propan-2-ol
CID 143748521
6-[1-[[(3R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
CID 143748604
6-[1-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
CID 143748778
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrrol-3-yl]quinazolin-4-amine
CID 143748895

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The IUPAC name of N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (CID 157283549) is N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The canonical SMILES for N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is CC1CN=C(Cc2ccc3ncnc(Nc4ccc(OCc5cncc(F)c5)c(Cl)c4)c3c2)O1.CC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cncc(F)c5)c(Cl)c4)c3c2)=N1.C[C@@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.C[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@@H](C)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@H](C)CO5)cc34)cc2C)cn1.
What is the InChIKey of N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The InChIKey is AZYNOAVEFKZBAY-SGHVPVMJSA-N. The full InChI is InChI=1S/2C26H25N5O2.2C25H21ClFN5O2.2C25H22ClN5O2/c2*1-16-10-20(6-9-24(16)33-21-7-4-17(2)27-13-21)31-26-22-11-19(5-8-23(22)28-15-29-26)12-25-30-18(3)14-32-25;1-15-12-34-24(31-15)8-16-2-4-22-20(7-16)25(30-14-29-22)32-19-3-5-23(21(26)9-19)33-13-17-6-18(27)11-28-10-17;1-15-10-29-24(34-15)8-16-2-4-22-20(7-16)25(31-14-30-22)32-19-3-5-23(21(26)9-19)33-13-17-6-18(27)12-28-11-17;2*1-16-13-33-24(30-16)11-17-5-7-22-20(10-17)25(29-15-28-22)31-18-6-8-23(21(26)12-18)32-14-19-4-2-3-9-27-19/h2*4-11,13,15,18H,12,14H2,1-3H3,(H,28,29,31);2-7,9-11,14-15H,8,12-13H2,1H3,(H,29,30,32);2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,30,31,32);2*2-10,12,15-16H,11,13-14H2,1H3,(H,28,29,31)/t2*18-;;;2*16-/m10..10/s1.
What are the key properties of N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine has a molecular weight of 2754.77 g/mol, XLogP of 32.79, 40 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 157283549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).