1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

C20H18N4O2 — CID 86297285

IUPAC1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(Cn4cccnc4=O)c3)ccc21
InChIInChI=1S/C20H18N4O2/c1-23-18-5-3-15(10-16(18)4-6-19(23)25)17-9-14(11-21-12-17)13-24-8-2-7-22-20(24)26/h2-3,5,7-12H,4,6,13H2,1H3
InChIKeyYHFBMSXRDZWBNZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.26
Rot. Bonds3

About 1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 86297285) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID86297285
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(Cn4cccnc4=O)c3)ccc21
InChIInChI=1S/C20H18N4O2/c1-23-18-5-3-15(10-16(18)4-6-19(23)25)17-9-14(11-21-12-17)13-24-8-2-7-22-20(24)26/h2-3,5,7-12H,4,6,13H2,1H3
InChIKeyYHFBMSXRDZWBNZ-UHFFFAOYSA-N
XLogP2.26
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 86297285) is 1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3cncc(Cn4cccnc4=O)c3)ccc21.
What is the InChIKey of 1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is YHFBMSXRDZWBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-23-18-5-3-15(10-16(18)4-6-19(23)25)17-9-14(11-21-12-17)13-24-8-2-7-22-20(24)26/h2-3,5,7-12H,4,6,13H2,1H3.
What are the key properties of 1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 346.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86297285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).