(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone

C15H14ClN3O — CID 66462390

IUPAC(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone
SMILESNc1ccc2c(c1)CCCN2C(=O)c1ccncc1Cl
InChIInChI=1S/C15H14ClN3O/c16-13-9-18-6-5-12(13)15(20)19-7-1-2-10-8-11(17)3-4-14(10)19/h3-6,8-9H,1-2,7,17H2
InChIKeyZLSHZWLPDHCOKG-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.91
Rot. Bonds1

About (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone (PubChem CID 66462390) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone
PubChem CID66462390
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone
SMILESNc1ccc2c(c1)CCCN2C(=O)c1ccncc1Cl
InChIInChI=1S/C15H14ClN3O/c16-13-9-18-6-5-12(13)15(20)19-7-1-2-10-8-11(17)3-4-14(10)19/h3-6,8-9H,1-2,7,17H2
InChIKeyZLSHZWLPDHCOKG-UHFFFAOYSA-N
XLogP2.91
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80644164
(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809490
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 62266898
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 28707202
(3-chloro-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103714816
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107670570
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone
CID 81110443
(4-chloro-6-methyl-3-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81228751
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710

Frequently Asked Questions

What is the IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone (CID 66462390) is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone is Nc1ccc2c(c1)CCCN2C(=O)c1ccncc1Cl.
What is the InChIKey of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone?
The InChIKey is ZLSHZWLPDHCOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-13-9-18-6-5-12(13)15(20)19-7-1-2-10-8-11(17)3-4-14(10)19/h3-6,8-9H,1-2,7,17H2.
What are the key properties of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone?
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone has a molecular weight of 287.75 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 66462390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).