1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea

C19H21N3O2 — CID 30376245

IUPAC1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
SMILESCCN1C(=O)CCc2cc(NC(=O)Nc3cccc(C)c3)ccc21
InChIInChI=1S/C19H21N3O2/c1-3-22-17-9-8-16(12-14(17)7-10-18(22)23)21-19(24)20-15-6-4-5-13(2)11-15/h4-6,8-9,11-12H,3,7,10H2,1-2H3,(H2,20,21,24)
InChIKeyOSIFUIVFTWIJDZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.94
Rot. Bonds3

About 1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea

1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea (PubChem CID 30376245) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
PubChem CID30376245
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
SMILESCCN1C(=O)CCc2cc(NC(=O)Nc3cccc(C)c3)ccc21
InChIInChI=1S/C19H21N3O2/c1-3-22-17-9-8-16(12-14(17)7-10-18(22)23)21-19(24)20-15-6-4-5-13(2)11-15/h4-6,8-9,11-12H,3,7,10H2,1-2H3,(H2,20,21,24)
InChIKeyOSIFUIVFTWIJDZ-UHFFFAOYSA-N
XLogP3.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
CID 30376939
1-(3,4-dimethoxyphenyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376300
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
CID 122089851
(E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide
CID 83287705
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(3-hydroxyphenyl)acetamide
CID 86791329
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 40889537
phenyl N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate
CID 27639376
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537
2-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608537
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-phenylphenyl)acetamide
CID 40946959
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzamide
CID 16926919

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea (CID 30376245) is 1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea is CCN1C(=O)CCc2cc(NC(=O)Nc3cccc(C)c3)ccc21.
What is the InChIKey of 1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea?
The InChIKey is OSIFUIVFTWIJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-22-17-9-8-16(12-14(17)7-10-18(22)23)21-19(24)20-15-6-4-5-13(2)11-15/h4-6,8-9,11-12H,3,7,10H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea?
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea has a molecular weight of 323.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 30376245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).