[3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate

C26H18ClN3O4 — CID 11213596

IUPAC[3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate
SMILESCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)cc12
InChIInChI=1S/C26H18ClN3O4/c1-14-24-19(17(12-28-14)13-33-15(2)31)11-21(26(32)34-24)25-29-22-9-8-18(27)10-20(22)23(30-25)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyDEXBRXOUROBGDB-UHFFFAOYSA-N
MW471.90 g/mol
LogP5.49
Rot. Bonds4

About [3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate

[3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate (PubChem CID 11213596) has the molecular formula C26H18ClN3O4 and a molecular weight of 471.90 g/mol. Its IUPAC name is [3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate.

Molecular Properties

Compound Name[3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate
PubChem CID11213596
Molecular FormulaC26H18ClN3O4
Molecular Weight471.90 g/mol
Exact Mass471.10
IUPAC Name[3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate
SMILESCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)cc12
InChIInChI=1S/C26H18ClN3O4/c1-14-24-19(17(12-28-14)13-33-15(2)31)11-21(26(32)34-24)25-29-22-9-8-18(27)10-20(22)23(30-25)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyDEXBRXOUROBGDB-UHFFFAOYSA-N
XLogP5.49
TPSA95.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.90
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 22424675
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl butanoate
CID 22575500
[8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 46346279
[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl 2-methylpropanoate
CID 46350385
[4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate
CID 146165991
[2-(4-chlorophenyl)imino-3-[(3-fluorophenyl)carbamoyl]-8-methylpyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 4691861
[2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 4608915
7-chloro-5-phenyl-1,4-benzodiazepin-2-one
CID 23615668
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline
CID 141477649
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
CID 15566178

Frequently Asked Questions

What is the IUPAC name of [3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate?
The IUPAC name of [3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate (CID 11213596) is [3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate.
What is the SMILES notation for [3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate?
The canonical SMILES for [3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate is CC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)cc12.
What is the InChIKey of [3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate?
The InChIKey is DEXBRXOUROBGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O4/c1-14-24-19(17(12-28-14)13-33-15(2)31)11-21(26(32)34-24)25-29-22-9-8-18(27)10-20(22)23(30-25)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3.
What are the key properties of [3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate?
[3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate has a molecular weight of 471.90 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-chloro-4-phenylquinazolin-2-yl)-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate is sourced from PubChem (CID 11213596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).