1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea

C13H12ClN3O2 — CID 6490407

IUPAC1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C13H12ClN3O2/c1-2-5-15-13(19)17-11-7-16-10-6-8(14)3-4-9(10)12(11)18/h2-4,6-7H,1,5H2,(H,16,18)(H2,15,17,19)
InChIKeyRZKCSOYPPBSZMS-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.49
Rot. Bonds3

About 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea

1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea (PubChem CID 6490407) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea
PubChem CID6490407
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C13H12ClN3O2/c1-2-5-15-13(19)17-11-7-16-10-6-8(14)3-4-9(10)12(11)18/h2-4,6-7H,1,5H2,(H,16,18)(H2,15,17,19)
InChIKeyRZKCSOYPPBSZMS-UHFFFAOYSA-N
XLogP2.49
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-ynylurea
CID 6490413
1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea
CID 6490417
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84700341
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide
CID 108941338
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
1-(2,5-dibromophenyl)-3-prop-2-enylurea
CID 47033525
6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide
CID 113206499
3-fluoro-4-(prop-2-enylcarbamoylamino)benzoic acid
CID 55158299
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea (CID 6490407) is 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea is C=CCNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea?
The InChIKey is RZKCSOYPPBSZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-2-5-15-13(19)17-11-7-16-10-6-8(14)3-4-9(10)12(11)18/h2-4,6-7H,1,5H2,(H,16,18)(H2,15,17,19).
What are the key properties of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea?
1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea has a molecular weight of 277.71 g/mol, XLogP of 2.49, 3 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-prop-2-enylurea is sourced from PubChem (CID 6490407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).