[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone

C24H26ClN3O — CID 71825088

IUPAC[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCCc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H26ClN3O/c1-2-17-6-8-18(9-7-17)15-27-23-20-14-19(25)10-11-22(20)26-16-21(23)24(29)28-12-4-3-5-13-28/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,26,27)
InChIKeyONQAHEMVQFNJCV-UHFFFAOYSA-N
MW407.95 g/mol
LogP5.69
Rot. Bonds5

About [6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone

[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 71825088) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is [6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID71825088
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCCc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H26ClN3O/c1-2-17-6-8-18(9-7-17)15-27-23-20-14-19(25)10-11-22(20)26-16-21(23)24(29)28-12-4-3-5-13-28/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,26,27)
InChIKeyONQAHEMVQFNJCV-UHFFFAOYSA-N
XLogP5.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333912
[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53333974
[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333943
[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333971
[6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333938
[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001489
[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 95795098
[4-(1,3-benzodioxol-5-ylmethylamino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
CID 53333981
[4-[(3-ethoxy-4-methoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333929
[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001765
[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001764
[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333897

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone (CID 71825088) is [6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone is CCc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1.
What is the InChIKey of [6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is ONQAHEMVQFNJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-2-17-6-8-18(9-7-17)15-27-23-20-14-19(25)10-11-22(20)26-16-21(23)24(29)28-12-4-3-5-13-28/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,26,27).
What are the key properties of [6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 407.95 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71825088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).