[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone

C23H24ClN3O — CID 95795098

IUPAC[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
SMILESC[C@H](Nc1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C23H24ClN3O/c1-16(17-8-4-2-5-9-17)26-22-19-14-18(24)10-11-21(19)25-15-20(22)23(28)27-12-6-3-7-13-27/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3,(H,25,26)/t16-/m0/s1
InChIKeyJRGVRJHGXPAHAQ-INIZCTEOSA-N
MW393.92 g/mol
LogP5.69
Rot. Bonds4

About [6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone

[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 95795098) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is [6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID95795098
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
SMILESC[C@H](Nc1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C23H24ClN3O/c1-16(17-8-4-2-5-9-17)26-22-19-14-18(24)10-11-21(19)25-15-20(22)23(28)27-12-6-3-7-13-27/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3,(H,25,26)/t16-/m0/s1
InChIKeyJRGVRJHGXPAHAQ-INIZCTEOSA-N
XLogP5.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53334001
[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825088
[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001765
[6-chloro-4-[3-(trifluoromethyl)anilino]quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032710
[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001764
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920
[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825143
[6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825144
[6-chloro-4-(3,4-dichloroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53052673
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
[6-chloro-4-(3,5-dimethylphenyl)sulfonylquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 71686414
[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825152

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone (CID 95795098) is [6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone is C[C@H](Nc1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc12)c1ccccc1.
What is the InChIKey of [6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is JRGVRJHGXPAHAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-16(17-8-4-2-5-9-17)26-22-19-14-18(24)10-11-21(19)25-15-20(22)23(28)27-12-6-3-7-13-27/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3,(H,25,26)/t16-/m0/s1.
What are the key properties of [6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone?
[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 393.92 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 95795098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).