(2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

C19H19N3O — CID 95146105

IUPAC(2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESC[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O/c1-13-10-17(19(21)23)16-4-2-3-5-18(16)22(13)12-15-8-6-14(11-20)7-9-15/h2-9,13,17H,10,12H2,1H3,(H2,21,23)/t13-,17+/m0/s1
InChIKeyPDWXGLUUUCUKJP-SUMWQHHRSA-N
MW305.38 g/mol
LogP2.93
Rot. Bonds3

About (2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

(2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 95146105) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID95146105
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESC[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O/c1-13-10-17(19(21)23)16-4-2-3-5-18(16)22(13)12-15-8-6-14(11-20)7-9-15/h2-9,13,17H,10,12H2,1H3,(H2,21,23)/t13-,17+/m0/s1
InChIKeyPDWXGLUUUCUKJP-SUMWQHHRSA-N
XLogP2.93
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 167920926
(2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95584191
(2R,4R)-1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 100901258
(2S,4R)-1-[(2-methoxy-5-nitrophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 52537486
(2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95576424
(2S,4R)-2-methyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95576414
(2R,4S)-1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95151811
(2S,4S)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95347335
(2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95141474
(2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95282789
(2R,4R)-2-methyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 100903784
(2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 51935811

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (CID 95146105) is (2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ccc(C#N)cc1.
What is the InChIKey of (2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is PDWXGLUUUCUKJP-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-10-17(19(21)23)16-4-2-3-5-18(16)22(13)12-15-8-6-14(11-20)7-9-15/h2-9,13,17H,10,12H2,1H3,(H2,21,23)/t13-,17+/m0/s1.
What are the key properties of (2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
(2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 95146105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).