1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea

C17H14ClN3O — CID 108991844

IUPAC1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
SMILESCc1cc(Cl)ccc1NC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H14ClN3O/c1-11-10-13(18)7-8-14(11)20-17(22)21-15-6-2-4-12-5-3-9-19-16(12)15/h2-10H,1H3,(H2,20,21,22)
InChIKeyIYIZLXKGWPKBQC-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.84
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea

1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea (PubChem CID 108991844) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
PubChem CID108991844
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
SMILESCc1cc(Cl)ccc1NC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H14ClN3O/c1-11-10-13(18)7-8-14(11)20-17(22)21-15-6-2-4-12-5-3-9-19-16(12)15/h2-10H,1H3,(H2,20,21,22)
InChIKeyIYIZLXKGWPKBQC-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

quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
CID 4114016
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
N'-(2,5-dichlorophenyl)-N-quinolin-8-yloxamide
CID 108501076
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
1-quinolin-8-yl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871921
3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide
CID 113133258
1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789
N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide
CID 108530535
N-(4-chloro-2-methylphenyl)quinoline-7-carboxamide
CID 142343740
N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010978

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea (CID 108991844) is 1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea is Cc1cc(Cl)ccc1NC(=O)Nc1cccc2cccnc12.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea?
The InChIKey is IYIZLXKGWPKBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-11-10-13(18)7-8-14(11)20-17(22)21-15-6-2-4-12-5-3-9-19-16(12)15/h2-10H,1H3,(H2,20,21,22).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea?
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea 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-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea is sourced from PubChem (CID 108991844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).