4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C20H18N4O2 — CID 53494535

IUPAC4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C20H18N4O2/c1-26-15-9-5-8-14(12-15)22-19-17-16(10-11-21-20(17)25)23-18(24-19)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyIXFMWBGZRWTDFQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.18
Rot. Bonds4

About 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 53494535) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID53494535
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C20H18N4O2/c1-26-15-9-5-8-14(12-15)22-19-17-16(10-11-21-20(17)25)23-18(24-19)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyIXFMWBGZRWTDFQ-UHFFFAOYSA-N
XLogP3.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 53494535) is 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is COc1cccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)c1.
What is the InChIKey of 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is IXFMWBGZRWTDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-15-9-5-8-14(12-15)22-19-17-16(10-11-21-20(17)25)23-18(24-19)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 346.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 53494535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).