[5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C21H18ClN3O — CID 109242554

IUPAC[5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cncc(Nc2cccc(Cl)c2)c1)N1CCCc2ccccc21
InChIInChI=1S/C21H18ClN3O/c22-17-7-3-8-18(12-17)24-19-11-16(13-23-14-19)21(26)25-10-4-6-15-5-1-2-9-20(15)25/h1-3,5,7-9,11-14,24H,4,6,10H2
InChIKeyRBONRXPTPJHBHY-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.07
Rot. Bonds3

About [5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109242554) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is [5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109242554
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name[5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cncc(Nc2cccc(Cl)c2)c1)N1CCCc2ccccc21
InChIInChI=1S/C21H18ClN3O/c22-17-7-3-8-18(12-17)24-19-11-16(13-23-14-19)21(26)25-10-4-6-15-5-1-2-9-20(15)25/h1-3,5,7-9,11-14,24H,4,6,10H2
InChIKeyRBONRXPTPJHBHY-UHFFFAOYSA-N
XLogP5.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

[5-(2,5-dichloroanilino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109242444
3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242545
[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
3,4-dihydro-2H-quinolin-1-yl-[5-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109242568
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242383
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109232136
1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
CID 109162524
3,4-dihydro-2H-quinolin-1-yl-[5-(3-phenylpropylamino)-3-pyridinyl]methanone
CID 109239100
[5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 155561319
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229964

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109242554) is [5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cncc(Nc2cccc(Cl)c2)c1)N1CCCc2ccccc21.
What is the InChIKey of [5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is RBONRXPTPJHBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c22-17-7-3-8-18(12-17)24-19-11-16(13-23-14-19)21(26)25-10-4-6-15-5-1-2-9-20(15)25/h1-3,5,7-9,11-14,24H,4,6,10H2.
What are the key properties of [5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 363.85 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109242554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).