1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea

C17H13ClFN3O — CID 44527642

IUPAC1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)cc2F)c2ccccc2n1
InChIInChI=1S/C17H13ClFN3O/c1-10-8-16(12-4-2-3-5-14(12)20-10)22-17(23)21-15-7-6-11(18)9-13(15)19/h2-9H,1H3,(H2,20,21,22,23)
InChIKeyAZAFBFJZQOVWBF-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.98
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea

1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea (PubChem CID 44527642) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea
PubChem CID44527642
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)cc2F)c2ccccc2n1
InChIInChI=1S/C17H13ClFN3O/c1-10-8-16(12-4-2-3-5-14(12)20-10)22-17(23)21-15-7-6-11(18)9-13(15)19/h2-9H,1H3,(H2,20,21,22,23)
InChIKeyAZAFBFJZQOVWBF-UHFFFAOYSA-N
XLogP4.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Acridine, 1,2,3,4-tetrahydro-9-amino-7-chloro-
CID 22493
SB-408124
CID 4331799
Acridine, 9-amino-2-chloro-
CID 31756
1-(4-Chlorophenyl)-3-quinolin-8-ylurea
CID 699033
(E)-N-(4-amino-2-methylquinolin-6-yl)-3-(2-chlorophenyl)prop-2-enamide
CID 5773323
(4-Chloro-phenyl)-(2-phenyl-quinazolin-4-yl)-amine
CID 10359377
Acridine, 9-(p-chloroanilino)-
CID 43664
Diarylurea 3
CID 2824466
N-(2,4-difluorophenyl)-4-(2-methylquinolin-4-yl)piperazine-1-carboxamide
CID 2810132
1-(4-Fluorophenyl)-3-quinolin-2-ylurea
CID 2812959
N-(2-methyl(4-quinolyl)){[3-(trifluoromethyl)phenyl]amino}carboxamide
CID 4129037
[(3-chlorophenyl)amino]-N-(2-methyl(4-quinolyl))carboxamide
CID 4536829

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea (CID 44527642) is 1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea is Cc1cc(NC(=O)Nc2ccc(Cl)cc2F)c2ccccc2n1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea?
The InChIKey is AZAFBFJZQOVWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c1-10-8-16(12-4-2-3-5-14(12)20-10)22-17(23)21-15-7-6-11(18)9-13(15)19/h2-9H,1H3,(H2,20,21,22,23).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea?
1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea has a molecular weight of 329.76 g/mol, XLogP of 4.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 44527642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).