2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide

C27H32N4O2 — CID 92879171

IUPAC2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCN3CCCC[C@@H]3C)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C27H32N4O2/c1-18-7-12-25-23(16-18)24(27(33)28-13-15-31-14-5-4-6-19(31)2)17-26(30-25)21-8-10-22(11-9-21)29-20(3)32/h7-12,16-17,19H,4-6,13-15H2,1-3H3,(H,28,33)(H,29,32)/t19-/m0/s1
InChIKeyLOKVFNGSUZKMDD-IBGZPJMESA-N
MW444.58 g/mol
LogP4.77
Rot. Bonds6

About 2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide

2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide (PubChem CID 92879171) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide
PubChem CID92879171
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCN3CCCC[C@@H]3C)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C27H32N4O2/c1-18-7-12-25-23(16-18)24(27(33)28-13-15-31-14-5-4-6-19(31)2)17-26(30-25)21-8-10-22(11-9-21)29-20(3)32/h7-12,16-17,19H,4-6,13-15H2,1-3H3,(H,28,33)(H,29,32)/t19-/m0/s1
InChIKeyLOKVFNGSUZKMDD-IBGZPJMESA-N
XLogP4.77
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)-6-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 46375393
2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
CID 46375387
2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 50816181
2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
CID 46375371
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749495
2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide
CID 92728412
2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
CID 46375355
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide
CID 166190848
2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide
CID 22588120
2-(1-ethylindazol-5-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 172895961

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide (CID 92879171) is 2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide is CC(=O)Nc1ccc(-c2cc(C(=O)NCCN3CCCC[C@@H]3C)c3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide?
The InChIKey is LOKVFNGSUZKMDD-IBGZPJMESA-N. The full InChI is InChI=1S/C27H32N4O2/c1-18-7-12-25-23(16-18)24(27(33)28-13-15-31-14-5-4-6-19(31)2)17-26(30-25)21-8-10-22(11-9-21)29-20(3)32/h7-12,16-17,19H,4-6,13-15H2,1-3H3,(H,28,33)(H,29,32)/t19-/m0/s1.
What are the key properties of 2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide?
2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 92879171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).