7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde

C15H13ClN2O3 — CID 173218252

IUPAC7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(C(=O)N2CCCC2)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H13ClN2O3/c16-9-3-4-10-12(7-9)17-13(11(8-19)14(10)20)15(21)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H,17,20)
InChIKeyRYIRZHSNHYTXGK-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.23
Rot. Bonds2

About 7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde

7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde (PubChem CID 173218252) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde
PubChem CID173218252
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(C(=O)N2CCCC2)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H13ClN2O3/c16-9-3-4-10-12(7-9)17-13(11(8-19)14(10)20)15(21)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H,17,20)
InChIKeyRYIRZHSNHYTXGK-UHFFFAOYSA-N
XLogP2.23
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
CID 115043325
tert-butyl N-[(4-aminophenyl)methyl-[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]carbamate
CID 16733318
7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82243483
(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204953
tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(1,3-thiazol-2-ylmethyl)amino]carbamate
CID 16731714
1'-[6-chloro-2-(piperidine-1-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 15952918
tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(3-pyridin-4-ylprop-2-ynyl)amino]carbamate
CID 16733479
2-cyclopentyl-1-[4-(3,5-dichloro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 55912749
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
tert-butyl N-[[7-chloro-4-oxo-2-(piperidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[[3-(piperazine-1-carbonyl)phenyl]methyl]amino]carbamate
CID 11433733
ethyl 6-chloro-3-formyl-1H-indole-2-carboxylate;ethyl 6-chloro-1H-indole-2-carboxylate
CID 158792265
(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 110849920

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde?
The IUPAC name of 7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde (CID 173218252) is 7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde is O=Cc1c(C(=O)N2CCCC2)[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde?
The InChIKey is RYIRZHSNHYTXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-9-3-4-10-12(7-9)17-13(11(8-19)14(10)20)15(21)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H,17,20).
What are the key properties of 7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde?
7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde has a molecular weight of 304.73 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 173218252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).