1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one

C27H20ClN3O4 — CID 118987439

IUPAC1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one
SMILESCOc1cc2ncnc(Oc3ccc(-c4cccn(-c5cccc(Cl)c5)c4=O)cc3)c2cc1OC
InChIInChI=1S/C27H20ClN3O4/c1-33-24-14-22-23(15-25(24)34-2)29-16-30-26(22)35-20-10-8-17(9-11-20)21-7-4-12-31(27(21)32)19-6-3-5-18(28)13-19/h3-16H,1-2H3
InChIKeyYCJCIXRLDXZZEW-UHFFFAOYSA-N
MW485.93 g/mol
LogP5.91
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one

1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one (PubChem CID 118987439) has the molecular formula C27H20ClN3O4 and a molecular weight of 485.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one
PubChem CID118987439
Molecular FormulaC27H20ClN3O4
Molecular Weight485.93 g/mol
Exact Mass485.11
IUPAC Name1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one
SMILESCOc1cc2ncnc(Oc3ccc(-c4cccn(-c5cccc(Cl)c5)c4=O)cc3)c2cc1OC
InChIInChI=1S/C27H20ClN3O4/c1-33-24-14-22-23(15-25(24)34-2)29-16-30-26(22)35-20-10-8-17(9-11-20)21-7-4-12-31(27(21)32)19-6-3-5-18(28)13-19/h3-16H,1-2H3
InChIKeyYCJCIXRLDXZZEW-UHFFFAOYSA-N
XLogP5.91
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.93
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one (CID 118987439) is 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one is COc1cc2ncnc(Oc3ccc(-c4cccn(-c5cccc(Cl)c5)c4=O)cc3)c2cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one?
The InChIKey is YCJCIXRLDXZZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O4/c1-33-24-14-22-23(15-25(24)34-2)29-16-30-26(22)35-20-10-8-17(9-11-20)21-7-4-12-31(27(21)32)19-6-3-5-18(28)13-19/h3-16H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one?
1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one has a molecular weight of 485.93 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]pyridin-2-one is sourced from PubChem (CID 118987439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).