1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea

C17H20N4O3 — CID 154747174

IUPAC1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea
SMILESCN(Cc1cccc(=O)[nH]1)C(=O)Nc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H20N4O3/c1-21(10-12-6-4-8-15(22)18-12)17(24)20-14-9-11-5-2-3-7-13(11)19-16(14)23/h4,6,8-9H,2-3,5,7,10H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyQYVGDYVWKQGUAJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.61
Rot. Bonds3

About 1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea

1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea (PubChem CID 154747174) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea
PubChem CID154747174
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea
SMILESCN(Cc1cccc(=O)[nH]1)C(=O)Nc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H20N4O3/c1-21(10-12-6-4-8-15(22)18-12)17(24)20-14-9-11-5-2-3-7-13(11)19-16(14)23/h4,6,8-9H,2-3,5,7,10H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyQYVGDYVWKQGUAJ-UHFFFAOYSA-N
XLogP1.61
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea 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-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea?
The IUPAC name of 1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea (CID 154747174) is 1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea.
What is the SMILES notation for 1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea?
The canonical SMILES for 1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea is CN(Cc1cccc(=O)[nH]1)C(=O)Nc1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea?
The InChIKey is QYVGDYVWKQGUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-21(10-12-6-4-8-15(22)18-12)17(24)20-14-9-11-5-2-3-7-13(11)19-16(14)23/h4,6,8-9H,2-3,5,7,10H2,1H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of 1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea?
1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea has a molecular weight of 328.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea is sourced from PubChem (CID 154747174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).