1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea

C11H10ClN3O2 — CID 6490425

IUPAC1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea
SMILESCNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O
InChIInChI=1S/C11H10ClN3O2/c1-13-11(17)15-8-5-14-9-6(10(8)16)3-2-4-7(9)12/h2-5H,1H3,(H,14,16)(H2,13,15,17)
InChIKeyCBRLAWTWWQGWED-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.93
Rot. Bonds1

About 1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea

1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea (PubChem CID 6490425) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea.

Molecular Properties

Compound Name1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea
PubChem CID6490425
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea
SMILESCNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O
InChIInChI=1S/C11H10ClN3O2/c1-13-11(17)15-8-5-14-9-6(10(8)16)3-2-4-7(9)12/h2-5H,1H3,(H,14,16)(H2,13,15,17)
InChIKeyCBRLAWTWWQGWED-UHFFFAOYSA-N
XLogP1.93
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
N-(8-methyl-4-oxo-1H-quinolin-3-yl)pyrrolidine-1-carboxamide
CID 6484351
8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
2-(7-chloro-1H-indol-3-yl)acetamide
CID 10703607
1-N-(8-methyl-4-oxo-1H-quinolin-3-yl)piperidine-1,4-dicarboxamide
CID 23607647
1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea
CID 23607678
7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 43860282
(Z)-3-(7-chloro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid
CID 90668191
8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016607

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea?
The IUPAC name of 1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea (CID 6490425) is 1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea.
What is the SMILES notation for 1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea?
The canonical SMILES for 1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea is CNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O.
What is the InChIKey of 1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea?
The InChIKey is CBRLAWTWWQGWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-13-11(17)15-8-5-14-9-6(10(8)16)3-2-4-7(9)12/h2-5H,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of 1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea?
1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea has a molecular weight of 251.67 g/mol, XLogP of 1.93, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea is sourced from PubChem (CID 6490425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).