1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile

C17H20N2O — CID 63378040

IUPAC1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCC1Cc2ccccc2N(C(=O)C2(C#N)CCCC2)C1
InChIInChI=1S/C17H20N2O/c1-13-10-14-6-2-3-7-15(14)19(11-13)16(20)17(12-18)8-4-5-9-17/h2-3,6-7,13H,4-5,8-11H2,1H3
InChIKeySIUQGLPHLYEHMJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.30
Rot. Bonds1

About 1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile

1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile (PubChem CID 63378040) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile
PubChem CID63378040
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCC1Cc2ccccc2N(C(=O)C2(C#N)CCCC2)C1
InChIInChI=1S/C17H20N2O/c1-13-10-14-6-2-3-7-15(14)19(11-13)16(20)17(12-18)8-4-5-9-17/h2-3,6-7,13H,4-5,8-11H2,1H3
InChIKeySIUQGLPHLYEHMJ-UHFFFAOYSA-N
XLogP3.30
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile
CID 60677912
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109
N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide
CID 80598659
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
1-cyano-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 60599448
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
3-(dimethylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-yn-1-one
CID 166787642
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one
CID 166787687
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile (CID 63378040) is 1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile is CC1Cc2ccccc2N(C(=O)C2(C#N)CCCC2)C1.
What is the InChIKey of 1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile?
The InChIKey is SIUQGLPHLYEHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-10-14-6-2-3-7-15(14)19(11-13)16(20)17(12-18)8-4-5-9-17/h2-3,6-7,13H,4-5,8-11H2,1H3.
What are the key properties of 1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile?
1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 63378040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).