(8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide

C16H21N5O — CID 100659560

IUPAC(8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCC(C)c1nc(NC(=O)[C@H]2CCCc3cccnc32)n(C)n1
InChIInChI=1S/C16H21N5O/c1-10(2)14-18-16(21(3)20-14)19-15(22)12-8-4-6-11-7-5-9-17-13(11)12/h5,7,9-10,12H,4,6,8H2,1-3H3,(H,18,19,20,22)/t12-/m0/s1
InChIKeyIYQPIBMNOQINDH-LBPRGKRZSA-N
MW299.38 g/mol
LogP2.39
Rot. Bonds3

About (8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide

(8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 100659560) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name(8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID100659560
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCC(C)c1nc(NC(=O)[C@H]2CCCc3cccnc32)n(C)n1
InChIInChI=1S/C16H21N5O/c1-10(2)14-18-16(21(3)20-14)19-15(22)12-8-4-6-11-7-5-9-17-13(11)12/h5,7,9-10,12H,4,6,8H2,1-3H3,(H,18,19,20,22)/t12-/m0/s1
InChIKeyIYQPIBMNOQINDH-LBPRGKRZSA-N
XLogP2.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-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

3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
(8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100642582
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 119052717
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154754689
N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154862038
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125
(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124851984
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(5-methyloxolan-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782292
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115

Frequently Asked Questions

What is the IUPAC name of (8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of (8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 100659560) is (8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for (8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for (8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide is CC(C)c1nc(NC(=O)[C@H]2CCCc3cccnc32)n(C)n1.
What is the InChIKey of (8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is IYQPIBMNOQINDH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O/c1-10(2)14-18-16(21(3)20-14)19-15(22)12-8-4-6-11-7-5-9-17-13(11)12/h5,7,9-10,12H,4,6,8H2,1-3H3,(H,18,19,20,22)/t12-/m0/s1.
What are the key properties of (8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
(8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 100659560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).