2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one

C28H21N3O2 — CID 3481659

IUPAC2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
SMILESCOc1ccc2ccccc2c1C1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1
InChIInChI=1S/C28H21N3O2/c1-33-24-16-15-18-9-5-7-13-21(18)25(24)27-30-26-22(17-19-10-6-8-14-23(19)29-26)28(32)31(27)20-11-3-2-4-12-20/h2-17,27H,1H3,(H,29,30)
InChIKeyJADNWACXLZFKOL-UHFFFAOYSA-N
MW431.50 g/mol
LogP6.17
Rot. Bonds3

About 2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one

2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one (PubChem CID 3481659) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
PubChem CID3481659
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC Name2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
SMILESCOc1ccc2ccccc2c1C1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1
InChIInChI=1S/C28H21N3O2/c1-33-24-16-15-18-9-5-7-13-21(18)25(24)27-30-26-22(17-19-10-6-8-14-23(19)29-26)28(32)31(27)20-11-3-2-4-12-20/h2-17,27H,1H3,(H,29,30)
InChIKeyJADNWACXLZFKOL-UHFFFAOYSA-N
XLogP6.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-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 2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one (CID 3481659) is 2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one is COc1ccc2ccccc2c1C1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1.
What is the InChIKey of 2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The InChIKey is JADNWACXLZFKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2/c1-33-24-16-15-18-9-5-7-13-21(18)25(24)27-30-26-22(17-19-10-6-8-14-23(19)29-26)28(32)31(27)20-11-3-2-4-12-20/h2-17,27H,1H3,(H,29,30).
What are the key properties of 2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one has a molecular weight of 431.50 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxynaphthalen-1-yl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 3481659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).