6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide

C23H25ClN2O2 — CID 30463999

IUPAC6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
SMILESCCn1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H25ClN2O2/c1-6-26-12-20(22(27)19-11-17(24)7-8-21(19)26)23(28)25-16(5)18-10-14(3)13(2)9-15(18)4/h7-12,16H,6H2,1-5H3,(H,25,28)/t16-/m0/s1
InChIKeyGNSNQKJSASJKRG-INIZCTEOSA-N
MW396.92 g/mol
LogP5.09
Rot. Bonds4

About 6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide

6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide (PubChem CID 30463999) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
PubChem CID30463999
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
SMILESCCn1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H25ClN2O2/c1-6-26-12-20(22(27)19-11-17(24)7-8-21(19)26)23(28)25-16(5)18-10-14(3)13(2)9-15(18)4/h7-12,16H,6H2,1-5H3,(H,25,28)/t16-/m0/s1
InChIKeyGNSNQKJSASJKRG-INIZCTEOSA-N
XLogP5.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide with MolForge

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Related Compounds

6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
N-(1-amino-1-oxopent-4-yn-2-yl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 75505552
1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
CID 30463969
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide
CID 75472827
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 30132214
N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 43888757
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-6-methyl-4-oxoquinoline-3-carboxamide
CID 30132118
6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
CID 39851344

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide?
The IUPAC name of 6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide (CID 30463999) is 6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide is CCn1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide?
The InChIKey is GNSNQKJSASJKRG-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-6-26-12-20(22(27)19-11-17(24)7-8-21(19)26)23(28)25-16(5)18-10-14(3)13(2)9-15(18)4/h7-12,16H,6H2,1-5H3,(H,25,28)/t16-/m0/s1.
What are the key properties of 6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide?
6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 30463999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).