1-(2-methylquinolin-4-yl)-3-phenylurea

C17H15N3O — CID 5110969

IUPAC1-(2-methylquinolin-4-yl)-3-phenylurea
SMILESCc1cc(NC(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-12-11-16(14-9-5-6-10-15(14)18-12)20-17(21)19-13-7-3-2-4-8-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyISRXTIIGKBTICT-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.19
Rot. Bonds2

About 1-(2-methylquinolin-4-yl)-3-phenylurea

1-(2-methylquinolin-4-yl)-3-phenylurea (PubChem CID 5110969) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(2-methylquinolin-4-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-methylquinolin-4-yl)-3-phenylurea
PubChem CID5110969
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-(2-methylquinolin-4-yl)-3-phenylurea
SMILESCc1cc(NC(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-12-11-16(14-9-5-6-10-15(14)18-12)20-17(21)19-13-7-3-2-4-8-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyISRXTIIGKBTICT-UHFFFAOYSA-N
XLogP4.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea
CID 22745166
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
1-(1-benzothiophen-5-yl)-3-(2-methylquinolin-4-yl)urea
CID 22745155
1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride
CID 67733477
1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
CID 21177304
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
1-phenyl-3-[3-(phenylcarbamoylamino)phenazin-2-yl]urea
CID 102390231
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 1124742

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-4-yl)-3-phenylurea?
The IUPAC name of 1-(2-methylquinolin-4-yl)-3-phenylurea (CID 5110969) is 1-(2-methylquinolin-4-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-methylquinolin-4-yl)-3-phenylurea?
The canonical SMILES for 1-(2-methylquinolin-4-yl)-3-phenylurea is Cc1cc(NC(=O)Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of 1-(2-methylquinolin-4-yl)-3-phenylurea?
The InChIKey is ISRXTIIGKBTICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-11-16(14-9-5-6-10-15(14)18-12)20-17(21)19-13-7-3-2-4-8-13/h2-11H,1H3,(H2,18,19,20,21).
What are the key properties of 1-(2-methylquinolin-4-yl)-3-phenylurea?
1-(2-methylquinolin-4-yl)-3-phenylurea has a molecular weight of 277.33 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-4-yl)-3-phenylurea is sourced from PubChem (CID 5110969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).