(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone

C15H12ClN3O2 — CID 77115317

IUPAC(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
SMILESO=C(c1ccncc1Cl)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C15H12ClN3O2/c16-12-9-17-7-5-10(12)15(20)19-8-6-13(18-21)11-3-1-2-4-14(11)19/h1-5,7,9,21H,6,8H2
InChIKeyYHQCJVJTORBASW-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.96
Rot. Bonds1

About (3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone

(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone (PubChem CID 77115317) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
PubChem CID77115317
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
SMILESO=C(c1ccncc1Cl)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C15H12ClN3O2/c16-12-9-17-7-5-10(12)15(20)19-8-6-13(18-21)11-3-1-2-4-14(11)19/h1-5,7,9,21H,6,8H2
InChIKeyYHQCJVJTORBASW-UHFFFAOYSA-N
XLogP2.96
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-Chloro-3-pyridyl)-5-(2-pyridyl)-1-phenyl-1,2-dihydropyridin-2-one
CID 22319259
6-Chloro-2-pyridin-3-yl-3,4-dihydro-2H-isoquinolin-1-one
CID 86685957
3,4-dihydro-2H-quinolin-1-yl(pyridin-3-yl)methanone
CID 743438
3-chloro-N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-4-carboxamide
CID 129626109
2-Chloro-4-(1-piperidinylcarbonyl)quinoline
CID 902610
6-Fluoro-1-isonicotinoyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 4307302
2-(6-Chloropyridine-3-carbonyl)-1,2,3,4-tetrahydroisoquinoline
CID 2474792
2-Chlorophenyl 4-(2-(2-pyridyl)ethyl)piperazinyl ketone
CID 16015749
4-{[3-(4-Chlorophenyl)piperidin-1-yl]carbonyl}-2-(propan-2-yl)pyridine
CID 117858011
4-{[3-(4-Chlorophenyl)piperidin-1-yl]carbonyl}-2-ethylpyridine
CID 117858385
1-(2-chloropyridine-3-carbonyl)-2H-quinoline-2-carbonitrile
CID 466926
1-(4-Chlorophenyl)-4-(pyridine-4-carbonyl)piperazine
CID 3626723

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone (CID 77115317) is (3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone is O=C(c1ccncc1Cl)N1CCC(=NO)c2ccccc21.
What is the InChIKey of (3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The InChIKey is YHQCJVJTORBASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-12-9-17-7-5-10(12)15(20)19-8-6-13(18-21)11-3-1-2-4-14(11)19/h1-5,7,9,21H,6,8H2.
What are the key properties of (3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone has a molecular weight of 301.73 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone is sourced from PubChem (CID 77115317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).