1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea

C15H19N3O2 — CID 110414626

IUPAC1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-3-6-16-15(20)17-9-12-8-11-7-10(2)4-5-13(11)18-14(12)19/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyLXFYRRQAOWIFJY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds4

About 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea

1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea (PubChem CID 110414626) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
PubChem CID110414626
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-3-6-16-15(20)17-9-12-8-11-7-10(2)4-5-13(11)18-14(12)19/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyLXFYRRQAOWIFJY-UHFFFAOYSA-N
XLogP2.05
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea with MolForge

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Related Compounds

6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110662673
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648
6,8-dimethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110616698
1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110325909
3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324668
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide
CID 110414901
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110414954
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 947723

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea (CID 110414626) is 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea is CCCNC(=O)NCc1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea?
The InChIKey is LXFYRRQAOWIFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-6-16-15(20)17-9-12-8-11-7-10(2)4-5-13(11)18-14(12)19/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea?
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea has a molecular weight of 273.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea is sourced from PubChem (CID 110414626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).