7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide

C21H21N3O2 — CID 95093769

IUPAC7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide
SMILESCC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccccc2)c2ccc(C)nc2c1
InChIInChI=1S/C21H21N3O2/c1-13-9-10-18-19(11-17(24-15(3)25)12-20(18)22-13)21(26)23-14(2)16-7-5-4-6-8-16/h4-12,14H,1-3H3,(H,23,26)(H,24,25)/t14-/m0/s1
InChIKeyYFDPADPQGDEHMV-AWEZNQCLSA-N
MW347.42 g/mol
LogP3.99
Rot. Bonds4

About 7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide

7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide (PubChem CID 95093769) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide.

Molecular Properties

Compound Name7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide
PubChem CID95093769
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide
SMILESCC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccccc2)c2ccc(C)nc2c1
InChIInChI=1S/C21H21N3O2/c1-13-9-10-18-19(11-17(24-15(3)25)12-20(18)22-13)21(26)23-14(2)16-7-5-4-6-8-16/h4-12,14H,1-3H3,(H,23,26)(H,24,25)/t14-/m0/s1
InChIKeyYFDPADPQGDEHMV-AWEZNQCLSA-N
XLogP3.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide
CID 95093772
7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide
CID 50842476
N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
CID 50842551
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 40811970
2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95279293
6-(4-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369314
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide?
The IUPAC name of 7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide (CID 95093769) is 7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide.
What is the SMILES notation for 7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide?
The canonical SMILES for 7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide is CC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccccc2)c2ccc(C)nc2c1.
What is the InChIKey of 7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide?
The InChIKey is YFDPADPQGDEHMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-9-10-18-19(11-17(24-15(3)25)12-20(18)22-13)21(26)23-14(2)16-7-5-4-6-8-16/h4-12,14H,1-3H3,(H,23,26)(H,24,25)/t14-/m0/s1.
What are the key properties of 7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide?
7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide is sourced from PubChem (CID 95093769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).