1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea

C11H10ClN3O2 — CID 6490403

IUPAC1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea
SMILESCNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H10ClN3O2/c1-13-11(17)15-9-5-14-8-4-6(12)2-3-7(8)10(9)16/h2-5H,1H3,(H,14,16)(H2,13,15,17)
InChIKeyJTUHISWLARKKKR-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.93
Rot. Bonds1

About 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea

1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea (PubChem CID 6490403) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea.

Molecular Properties

Compound Name1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea
PubChem CID6490403
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea
SMILESCNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H10ClN3O2/c1-13-11(17)15-9-5-14-8-4-6(12)2-3-7(8)10(9)16/h2-5H,1H3,(H,14,16)(H2,13,15,17)
InChIKeyJTUHISWLARKKKR-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

7-Chloro-4-hydroxyquinoline
CID 66593
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
6-Chloro-4-quinolinol
CID 220929
Acetamide, 2-(acetylamino)-N-(2-benzoyl-4-chlorophenyl)-
CID 200017
7-Chloro-2-methylquinolin-4-ol
CID 761550
2-[[2-(4-Chlorophenyl)-2-oxoethyl]amino]benzamide
CID 2796987
7-Chloro-2-phenylquinolin-4-ol
CID 371056
2-(((3-Chloroanilino)carbonyl)amino)benzamide
CID 717621
4(1H)-Quinolinone, 5,7-dichloro-
CID 2736001
N-(4-{[3-(4-chlorophenyl)-3-oxo-1-propen-1-yl]amino}phenyl)acetamide
CID 2267801
ST50973735
CID 742856
4-(7-Chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-YL)-N-cyclooctylbutanamide
CID 6621547

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea?
The IUPAC name of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea (CID 6490403) is 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea.
What is the SMILES notation for 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea?
The canonical SMILES for 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea is CNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea?
The InChIKey is JTUHISWLARKKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-13-11(17)15-9-5-14-8-4-6(12)2-3-7(8)10(9)16/h2-5H,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea?
1-(7-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-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea is sourced from PubChem (CID 6490403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).