[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine

C140H124Cl6N36O15S3 — CID 157391485

IUPAC[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine
SMILESCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.C[C@@H](O)C1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.C[C@@H]1CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.C[C@H]1CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.C[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.OCC1(CO)COC(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C25H23ClN6O4.2C24H21ClN6O2.C23H21ClN6O3S.2C22H19ClN6O2S/c26-20-10-17(5-7-22(20)35-11-18-3-1-2-8-27-18)30-23-19-9-16(4-6-21(19)28-15-29-23)31-24-32-25(12-33,13-34)14-36-24;2*1-15-12-27-24(33-15)31-16-5-7-21-19(10-16)23(29-14-28-21)30-17-6-8-22(20(25)11-17)32-13-18-4-2-3-9-26-18;1-13(31)19-10-33-23(30-19)29-14-2-4-18-16(8-14)22(27-12-26-18)28-15-3-5-20(17(24)9-15)32-11-21-25-6-7-34-21;2*1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h1-10,15,33-34H,11-14H2,(H,31,32)(H,28,29,30);2*2-11,14-15H,12-13H2,1H3,(H,27,31)(H,28,29,30);2-9,12-13,19,31H,10-11H2,1H3,(H,29,30)(H,26,27,28);2*2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t;2*15-;13-,19?;13-;/m.1010./s1
InChIKeyBMBFGKPHJJYGBA-DSIMTIAZSA-N
MW2859.69 g/mol
LogP29.00
Rot. Bonds39

About [2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine

[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine (PubChem CID 157391485) has the molecular formula C140H124Cl6N36O15S3 and a molecular weight of 2859.69 g/mol. Its IUPAC name is [2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine
PubChem CID157391485
Molecular FormulaC140H124Cl6N36O15S3
Molecular Weight2859.69 g/mol
Exact Mass2854.73
IUPAC Name[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine
SMILESCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.C[C@@H](O)C1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.C[C@@H]1CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.C[C@H]1CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.C[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.OCC1(CO)COC(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C25H23ClN6O4.2C24H21ClN6O2.C23H21ClN6O3S.2C22H19ClN6O2S/c26-20-10-17(5-7-22(20)35-11-18-3-1-2-8-27-18)30-23-19-9-16(4-6-21(19)28-15-29-23)31-24-32-25(12-33,13-34)14-36-24;2*1-15-12-27-24(33-15)31-16-5-7-21-19(10-16)23(29-14-28-21)30-17-6-8-22(20(25)11-17)32-13-18-4-2-3-9-26-18;1-13(31)19-10-33-23(30-19)29-14-2-4-18-16(8-14)22(27-12-26-18)28-15-3-5-20(17(24)9-15)32-11-21-25-6-7-34-21;2*1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h1-10,15,33-34H,11-14H2,(H,31,32)(H,28,29,30);2*2-11,14-15H,12-13H2,1H3,(H,27,31)(H,28,29,30);2-9,12-13,19,31H,10-11H2,1H3,(H,29,30)(H,26,27,28);2*2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t;2*15-;13-,19?;13-;/m.1010./s1
InChIKeyBMBFGKPHJJYGBA-DSIMTIAZSA-N
XLogP29.00
TPSA621.99 Ų
H-Bond Donors15
H-Bond Acceptors54
Rotatable Bonds39
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002859.69
LogP ≤ 529.00
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1054

Analyze [2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine?
The IUPAC name of [2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine (CID 157391485) is [2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine.
What is the SMILES notation for [2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine?
The canonical SMILES for [2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine is CC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.C[C@@H](O)C1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.C[C@@H]1CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.C[C@H]1CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.C[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.OCC1(CO)COC(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.
What is the InChIKey of [2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine?
The InChIKey is BMBFGKPHJJYGBA-DSIMTIAZSA-N. The full InChI is InChI=1S/C25H23ClN6O4.2C24H21ClN6O2.C23H21ClN6O3S.2C22H19ClN6O2S/c26-20-10-17(5-7-22(20)35-11-18-3-1-2-8-27-18)30-23-19-9-16(4-6-21(19)28-15-29-23)31-24-32-25(12-33,13-34)14-36-24;2*1-15-12-27-24(33-15)31-16-5-7-21-19(10-16)23(29-14-28-21)30-17-6-8-22(20(25)11-17)32-13-18-4-2-3-9-26-18;1-13(31)19-10-33-23(30-19)29-14-2-4-18-16(8-14)22(27-12-26-18)28-15-3-5-20(17(24)9-15)32-11-21-25-6-7-34-21;2*1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h1-10,15,33-34H,11-14H2,(H,31,32)(H,28,29,30);2*2-11,14-15H,12-13H2,1H3,(H,27,31)(H,28,29,30);2-9,12-13,19,31H,10-11H2,1H3,(H,29,30)(H,26,27,28);2*2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t;2*15-;13-,19?;13-;/m.1010./s1.
What are the key properties of [2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine?
[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine has a molecular weight of 2859.69 g/mol, XLogP of 29.00, 39 rotatable bonds, 15 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;(1R)-1-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine is sourced from PubChem (CID 157391485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).