(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H17ClN2O — CID 81229573

IUPAC(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(Cl)c(C(=O)N2CCCc3cccc(C)c32)cn1
InChIInChI=1S/C17H17ClN2O/c1-11-5-3-6-13-7-4-8-20(16(11)13)17(21)14-10-19-12(2)9-15(14)18/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyIJSQWKWLHPINKC-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.94
Rot. Bonds1

About (4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 81229573) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID81229573
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(Cl)c(C(=O)N2CCCc3cccc(C)c32)cn1
InChIInChI=1S/C17H17ClN2O/c1-11-5-3-6-13-7-4-8-20(16(11)13)17(21)14-10-19-12(2)9-15(14)18/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyIJSQWKWLHPINKC-UHFFFAOYSA-N
XLogP3.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112430
(4-chloro-6-methyl-3-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81228751
(2-chlorofuran-3-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106685630
(2-amino-4-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112240
(2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103756393
(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980
(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951713
(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 51289133
(5-bromo-2-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60704859
[1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872122
2,3-dihydro-1,4-benzodioxin-5-yl-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60596592
(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106502280

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 81229573) is (4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc(Cl)c(C(=O)N2CCCc3cccc(C)c32)cn1.
What is the InChIKey of (4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is IJSQWKWLHPINKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-5-3-6-13-7-4-8-20(16(11)13)17(21)14-10-19-12(2)9-15(14)18/h3,5-6,9-10H,4,7-8H2,1-2H3.
What are the key properties of (4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 300.79 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 81229573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).