N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide

C26H16ClF3N4O — CID 71144565

IUPACN-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide
SMILESO=C(N[C@@H](c1cnc2ccc(Cl)cc2c1)c1ncccc1C(F)(F)F)c1ccc2cnccc2c1
InChIInChI=1S/C26H16ClF3N4O/c27-20-5-6-22-18(12-20)11-19(14-33-22)23(24-21(26(28,29)30)2-1-8-32-24)34-25(35)16-3-4-17-13-31-9-7-15(17)10-16/h1-14,23H,(H,34,35)/t23-/m0/s1
InChIKeyWDLSOHLKTQASSY-QHCPKHFHSA-N
MW492.89 g/mol
LogP6.37
Rot. Bonds4

About N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide

N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide (PubChem CID 71144565) has the molecular formula C26H16ClF3N4O and a molecular weight of 492.89 g/mol. Its IUPAC name is N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide
PubChem CID71144565
Molecular FormulaC26H16ClF3N4O
Molecular Weight492.89 g/mol
Exact Mass492.10
IUPAC NameN-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide
SMILESO=C(N[C@@H](c1cnc2ccc(Cl)cc2c1)c1ncccc1C(F)(F)F)c1ccc2cnccc2c1
InChIInChI=1S/C26H16ClF3N4O/c27-20-5-6-22-18(12-20)11-19(14-33-22)23(24-21(26(28,29)30)2-1-8-32-24)34-25(35)16-3-4-17-13-31-9-7-15(17)10-16/h1-14,23H,(H,34,35)/t23-/m0/s1
InChIKeyWDLSOHLKTQASSY-QHCPKHFHSA-N
XLogP6.37
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.89
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-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

AV-608
CID 9917079
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211
Dipeptidyl nitrile inhibitor, 16
CID 44224126
6-chloro-4-(1-(naphthalen-2-ylmethyl)piperidin-4-ylamino)-1-(pyridin-2-ylmethyl)quinolin-2(1H)-one
CID 44410849
6-Chloro-2-(4-pyridinyl)-4-quinolinecarboxamide
CID 2220933
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1223053
7-(2-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)ethyl)-N-methylisoquinoline-3-carboxamide
CID 11430860
Quinoline-8-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 11540776
N-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]acetamide
CID 44389722

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide?
The IUPAC name of N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide (CID 71144565) is N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide is O=C(N[C@@H](c1cnc2ccc(Cl)cc2c1)c1ncccc1C(F)(F)F)c1ccc2cnccc2c1.
What is the InChIKey of N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide?
The InChIKey is WDLSOHLKTQASSY-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H16ClF3N4O/c27-20-5-6-22-18(12-20)11-19(14-33-22)23(24-21(26(28,29)30)2-1-8-32-24)34-25(35)16-3-4-17-13-31-9-7-15(17)10-16/h1-14,23H,(H,34,35)/t23-/m0/s1.
What are the key properties of N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide?
N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide has a molecular weight of 492.89 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(6-chloroquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 71144565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).