7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one

C23H16N4O3 — CID 89417197

IUPAC7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3ccc4ccc(=O)oc4c3)c2c1
InChIInChI=1S/C23H16N4O3/c1-29-17-7-8-19-18(12-17)23(27-22(26-19)15-3-2-10-24-13-15)25-16-6-4-14-5-9-21(28)30-20(14)11-16/h2-13H,1H3,(H,25,26,27)
InChIKeyRIWAOBOXPZRIDX-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.55
Rot. Bonds4

About 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one

7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one (PubChem CID 89417197) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one.

Molecular Properties

Compound Name7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one
PubChem CID89417197
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3ccc4ccc(=O)oc4c3)c2c1
InChIInChI=1S/C23H16N4O3/c1-29-17-7-8-19-18(12-17)23(27-22(26-19)15-3-2-10-24-13-15)25-16-6-4-14-5-9-21(28)30-20(14)11-16/h2-13H,1H3,(H,25,26,27)
InChIKeyRIWAOBOXPZRIDX-UHFFFAOYSA-N
XLogP4.55
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one 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

2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine
CID 71180927
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 71181163
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one
CID 71180918
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 71273583
6-methoxy-N-[3-(1,3-oxazol-2-yl)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180917
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180169
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409

Frequently Asked Questions

What is the IUPAC name of 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one?
The IUPAC name of 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one (CID 89417197) is 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one.
What is the SMILES notation for 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one?
The canonical SMILES for 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one is COc1ccc2nc(-c3cccnc3)nc(Nc3ccc4ccc(=O)oc4c3)c2c1.
What is the InChIKey of 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one?
The InChIKey is RIWAOBOXPZRIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c1-29-17-7-8-19-18(12-17)23(27-22(26-19)15-3-2-10-24-13-15)25-16-6-4-14-5-9-21(28)30-20(14)11-16/h2-13H,1H3,(H,25,26,27).
What are the key properties of 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one?
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one has a molecular weight of 396.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one is sourced from PubChem (CID 89417197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).