N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide

C19H21N3O2 — CID 94800890

IUPACN-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(=O)[C@@H](C#N)c1ccc2ccccc2n1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)10-18(24)21-12-17(23)14(11-20)16-9-8-13-6-4-5-7-15(13)22-16/h4-9,14H,10,12H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeySERHRMZTHHLWQQ-AWEZNQCLSA-N
MW323.40 g/mol
LogP2.96
Rot. Bonds5

About N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide

N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide (PubChem CID 94800890) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide
PubChem CID94800890
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(=O)[C@@H](C#N)c1ccc2ccccc2n1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)10-18(24)21-12-17(23)14(11-20)16-9-8-13-6-4-5-7-15(13)22-16/h4-9,14H,10,12H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeySERHRMZTHHLWQQ-AWEZNQCLSA-N
XLogP2.96
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
(2R)-2-(1H-benzimidazol-2-yl)-5,5-dimethyl-3-oxohexanenitrile
CID 51574329
(2R)-2-cyano-N-(2-methoxyphenyl)-2-quinolin-2-ylacetamide
CID 97252749
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 60565943
N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide
CID 94798584
N-[5-(2-cyano-2-quinolin-2-ylacetyl)-2-fluorophenyl]acetamide
CID 47073616
N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide
CID 71896665
3-amino-2,2-dimethyl-1-quinolin-2-ylpropan-1-ol
CID 79125016
2-(2-chloro-6-fluorophenyl)-5,5-dimethyl-3-oxohexanenitrile
CID 43334022
(2S)-3-(7-bromo-2-methylquinolin-4-yl)-3-oxo-2-quinolin-2-ylpropanenitrile
CID 94548728
2-(2,6-dichlorophenyl)-5,5-dimethyl-3-oxohexanenitrile
CID 43156682
N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
CID 110711685

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide (CID 94800890) is N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC(=O)[C@@H](C#N)c1ccc2ccccc2n1.
What is the InChIKey of N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide?
The InChIKey is SERHRMZTHHLWQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2,3)10-18(24)21-12-17(23)14(11-20)16-9-8-13-6-4-5-7-15(13)22-16/h4-9,14H,10,12H2,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide?
N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide has a molecular weight of 323.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 94800890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).