(Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide

C18H21N3O — CID 108835447

IUPAC(Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide
SMILESN#C/C(=C/N1CCCc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C18H21N3O/c19-12-15(18(22)20-16-8-2-3-9-16)13-21-11-5-7-14-6-1-4-10-17(14)21/h1,4,6,10,13,16H,2-3,5,7-9,11H2,(H,20,22)/b15-13-
InChIKeyVXRPOJNYIHGEKL-SQFISAMPSA-N
MW295.39 g/mol
LogP2.91
Rot. Bonds3

About (Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide

(Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide (PubChem CID 108835447) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide
PubChem CID108835447
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide
SMILESN#C/C(=C/N1CCCc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C18H21N3O/c19-12-15(18(22)20-16-8-2-3-9-16)13-21-11-5-7-14-6-1-4-10-17(14)21/h1,4,6,10,13,16H,2-3,5,7-9,11H2,(H,20,22)/b15-13-
InChIKeyVXRPOJNYIHGEKL-SQFISAMPSA-N
XLogP2.91
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoyl]amino]benzoate
CID 108851431
(Z)-3-(2,3-dihydroindol-1-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)prop-2-enenitrile
CID 108834941
(Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide
CID 108831570
(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 108846955
methyl 2-[[(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)prop-2-enoyl]amino]benzoate
CID 108851658
(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815594
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(2,3-dihydroindol-1-yl)prop-2-enamide
CID 108823785
(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 108855751
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108864173
(Z)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyano-N-cyclododecylprop-2-enamide
CID 108862783
(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
CID 51322190

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide (CID 108835447) is (Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide is N#C/C(=C/N1CCCc2ccccc21)C(=O)NC1CCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide?
The InChIKey is VXRPOJNYIHGEKL-SQFISAMPSA-N. The full InChI is InChI=1S/C18H21N3O/c19-12-15(18(22)20-16-8-2-3-9-16)13-21-11-5-7-14-6-1-4-10-17(14)21/h1,4,6,10,13,16H,2-3,5,7-9,11H2,(H,20,22)/b15-13-.
What are the key properties of (Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide?
(Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide has a molecular weight of 295.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enamide is sourced from PubChem (CID 108835447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).