N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol

C102H94Cl2N20O10 — CID 159509649

IUPACN-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESCc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)CO5)cc34)cc2Cl)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CCO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NCCO5)cc34)cc2Cl)cn1
InChIInChI=1S/C27H27N5O3.C26H25N5O3.C25H22ClN5O2.C24H20ClN5O2/c1-17-11-20(5-8-25(17)35-22-6-3-18(2)28-14-22)32-27-23-12-19(4-7-24(23)29-16-30-27)13-26-31-21(9-10-33)15-34-26;1-16-9-19(5-8-24(16)34-21-6-3-17(2)27-12-21)31-26-22-10-18(4-7-23(22)28-15-29-26)11-25-30-20(13-32)14-33-25;1-15-3-6-19(12-27-15)33-23-8-5-18(11-21(23)26)31-25-20-9-17(4-7-22(20)28-14-29-25)10-24-30-16(2)13-32-24;1-15-2-5-18(13-27-15)32-22-7-4-17(12-20(22)25)30-24-19-10-16(11-23-26-8-9-31-23)3-6-21(19)28-14-29-24/h3-8,11-12,14,16,21,33H,9-10,13,15H2,1-2H3,(H,29,30,32);3-10,12,15,20,32H,11,13-14H2,1-2H3,(H,28,29,31);3-9,11-12,14,16H,10,13H2,1-2H3,(H,28,29,31);2-7,10,12-14H,8-9,11H2,1H3,(H,28,29,30)
InChIKeyMAKYNLZJKRSBAL-UHFFFAOYSA-N
MW1830.91 g/mol
LogP20.79
Rot. Bonds27

About N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol

N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 159509649) has the molecular formula C102H94Cl2N20O10 and a molecular weight of 1830.91 g/mol. Its IUPAC name is N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound NameN-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID159509649
Molecular FormulaC102H94Cl2N20O10
Molecular Weight1830.91 g/mol
Exact Mass1828.68
IUPAC NameN-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESCc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)CO5)cc34)cc2Cl)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CCO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NCCO5)cc34)cc2Cl)cn1
InChIInChI=1S/C27H27N5O3.C26H25N5O3.C25H22ClN5O2.C24H20ClN5O2/c1-17-11-20(5-8-25(17)35-22-6-3-18(2)28-14-22)32-27-23-12-19(4-7-24(23)29-16-30-27)13-26-31-21(9-10-33)15-34-26;1-16-9-19(5-8-24(16)34-21-6-3-17(2)27-12-21)31-26-22-10-18(4-7-23(22)28-15-29-26)11-25-30-20(13-32)14-33-25;1-15-3-6-19(12-27-15)33-23-8-5-18(11-21(23)26)31-25-20-9-17(4-7-22(20)28-14-29-25)10-24-30-16(2)13-32-24;1-15-2-5-18(13-27-15)32-22-7-4-17(12-20(22)25)30-24-19-10-16(11-23-26-8-9-31-23)3-6-21(19)28-14-29-24/h3-8,11-12,14,16,21,33H,9-10,13,15H2,1-2H3,(H,29,30,32);3-10,12,15,20,32H,11,13-14H2,1-2H3,(H,28,29,31);3-9,11-12,14,16H,10,13H2,1-2H3,(H,28,29,31);2-7,10,12-14H,8-9,11H2,1H3,(H,28,29,30)
InChIKeyMAKYNLZJKRSBAL-UHFFFAOYSA-N
XLogP20.79
TPSA366.54 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001830.91
LogP ≤ 520.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 159509649) is N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol is Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)CO5)cc34)cc2Cl)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CCO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NCCO5)cc34)cc2Cl)cn1.
What is the InChIKey of N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is MAKYNLZJKRSBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3.C26H25N5O3.C25H22ClN5O2.C24H20ClN5O2/c1-17-11-20(5-8-25(17)35-22-6-3-18(2)28-14-22)32-27-23-12-19(4-7-24(23)29-16-30-27)13-26-31-21(9-10-33)15-34-26;1-16-9-19(5-8-24(16)34-21-6-3-17(2)27-12-21)31-26-22-10-18(4-7-23(22)28-15-29-26)11-25-30-20(13-32)14-33-25;1-15-3-6-19(12-27-15)33-23-8-5-18(11-21(23)26)31-25-20-9-17(4-7-22(20)28-14-29-25)10-24-30-16(2)13-32-24;1-15-2-5-18(13-27-15)32-22-7-4-17(12-20(22)25)30-24-19-10-16(11-23-26-8-9-31-23)3-6-21(19)28-14-29-24/h3-8,11-12,14,16,21,33H,9-10,13,15H2,1-2H3,(H,29,30,32);3-10,12,15,20,32H,11,13-14H2,1-2H3,(H,28,29,31);3-9,11-12,14,16H,10,13H2,1-2H3,(H,28,29,31);2-7,10,12-14H,8-9,11H2,1H3,(H,28,29,30).
What are the key properties of N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol?
N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 1830.91 g/mol, XLogP of 20.79, 27 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;2-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 159509649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).