(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

C17H23N3O — CID 124851984

IUPAC(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1CCCc2cccnc21
InChIInChI=1S/C17H23N3O/c1-16(2,3)17(4,11-18)20-15(21)13-9-5-7-12-8-6-10-19-14(12)13/h6,8,10,13H,5,7,9H2,1-4H3,(H,20,21)/t13-,17+/m1/s1
InChIKeyUACHFEBZZDZHAS-DYVFJYSZSA-N
MW285.39 g/mol
LogP2.95
Rot. Bonds2

About (8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 124851984) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID124851984
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1CCCc2cccnc21
InChIInChI=1S/C17H23N3O/c1-16(2,3)17(4,11-18)20-15(21)13-9-5-7-12-8-6-10-19-14(12)13/h6,8,10,13H,5,7,9H2,1-4H3,(H,20,21)/t13-,17+/m1/s1
InChIKeyUACHFEBZZDZHAS-DYVFJYSZSA-N
XLogP2.95
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 119052717
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154862038
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424

Frequently Asked Questions

What is the IUPAC name of (8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of (8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 124851984) is (8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for (8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for (8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1CCCc2cccnc21.
What is the InChIKey of (8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is UACHFEBZZDZHAS-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H23N3O/c1-16(2,3)17(4,11-18)20-15(21)13-9-5-7-12-8-6-10-19-14(12)13/h6,8,10,13H,5,7,9H2,1-4H3,(H,20,21)/t13-,17+/m1/s1.
What are the key properties of (8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 124851984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).