1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea

C20H21N3O2 — CID 119048802

IUPAC1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea
SMILESO=C1CCc2ccc(NC(=O)NCc3ccc(C4CC4)cc3)cc2N1
InChIInChI=1S/C20H21N3O2/c24-19-10-8-16-7-9-17(11-18(16)23-19)22-20(25)21-12-13-1-3-14(4-2-13)15-5-6-15/h1-4,7,9,11,15H,5-6,8,10,12H2,(H,23,24)(H2,21,22,25)
InChIKeyUVCLLMJWOZFCAI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.77
Rot. Bonds4

About 1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea

1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea (PubChem CID 119048802) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea.

Molecular Properties

Compound Name1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea
PubChem CID119048802
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea
SMILESO=C1CCc2ccc(NC(=O)NCc3ccc(C4CC4)cc3)cc2N1
InChIInChI=1S/C20H21N3O2/c24-19-10-8-16-7-9-17(11-18(16)23-19)22-20(25)21-12-13-1-3-14(4-2-13)15-5-6-15/h1-4,7,9,11,15H,5-6,8,10,12H2,(H,23,24)(H2,21,22,25)
InChIKeyUVCLLMJWOZFCAI-UHFFFAOYSA-N
XLogP3.77
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea with MolForge

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Related Compounds

1-[(4-cyclopropylphenyl)methyl]-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 119047537
1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110774999
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide
CID 119047540
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119326443
1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea
CID 119047504
2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91962370
1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 107654114
1-benzyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
CID 110774636
1-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxamide
CID 119326456
2-(2-chloro-4-fluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 122146835
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea?
The IUPAC name of 1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea (CID 119048802) is 1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea.
What is the SMILES notation for 1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea?
The canonical SMILES for 1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea is O=C1CCc2ccc(NC(=O)NCc3ccc(C4CC4)cc3)cc2N1.
What is the InChIKey of 1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea?
The InChIKey is UVCLLMJWOZFCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19-10-8-16-7-9-17(11-18(16)23-19)22-20(25)21-12-13-1-3-14(4-2-13)15-5-6-15/h1-4,7,9,11,15H,5-6,8,10,12H2,(H,23,24)(H2,21,22,25).
What are the key properties of 1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea?
1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea has a molecular weight of 335.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea is sourced from PubChem (CID 119048802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).