1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea

C17H14ClN3O — CID 4536829

IUPAC1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C17H14ClN3O/c1-11-9-16(14-7-2-3-8-15(14)19-11)21-17(22)20-13-6-4-5-12(18)10-13/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyBWCYDFBYHRCCKX-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.84
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea

1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea (PubChem CID 4536829) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea
PubChem CID4536829
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C17H14ClN3O/c1-11-9-16(14-7-2-3-8-15(14)19-11)21-17(22)20-13-6-4-5-12(18)10-13/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyBWCYDFBYHRCCKX-UHFFFAOYSA-N
XLogP4.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Aminoquinol
CID 5708341
Aminoquinuride
CID 71166
Acridine, 1,2,3,4-tetrahydro-9-amino-7-chloro-
CID 22493
3-Chloro-9-acridinamine
CID 18866
SB-408124
CID 4331799
6-Chlorotacrine
CID 10399068
6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10426799
Acridine, 9-amino-2-chloro-
CID 31756
Aminoquinuride hydrochloride
CID 79472
N~1~-(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
CID 17989633
1-[2-(Dimethylamino)quinolin-4-yl]-3-phenylurea
CID 2824465
N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine
CID 10711007

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea (CID 4536829) is 1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea is Cc1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc2n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea?
The InChIKey is BWCYDFBYHRCCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-11-9-16(14-7-2-3-8-15(14)19-11)21-17(22)20-13-6-4-5-12(18)10-13/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of 1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea?
1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea has a molecular weight of 311.77 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 4536829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).