(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide

C21H25N3O2 — CID 8593571

IUPAC(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCCc3cc(C)ccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-14-6-11-20-17(13-14)5-4-12-24(20)15(2)21(26)23-19-9-7-18(8-10-19)22-16(3)25/h6-11,13,15H,4-5,12H2,1-3H3,(H,22,25)(H,23,26)/t15-/m0/s1
InChIKeyLPCKHVVNAKSFTO-HNNXBMFYSA-N
MW351.45 g/mol
LogP3.73
Rot. Bonds4

About (2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide

(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide (PubChem CID 8593571) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
PubChem CID8593571
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCCc3cc(C)ccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-14-6-11-20-17(13-14)5-4-12-24(20)15(2)21(26)23-19-9-7-18(8-10-19)22-16(3)25/h6-11,13,15H,4-5,12H2,1-3H3,(H,22,25)(H,23,26)/t15-/m0/s1
InChIKeyLPCKHVVNAKSFTO-HNNXBMFYSA-N
XLogP3.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-methoxyphenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 8593450
S-[2-(4-acetamidoanilino)-2-oxoethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate
CID 24877246
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 9249756
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 8686429
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9249767
1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 43794192
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 43808966
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9249754
3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 64692920
2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 64661866
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide (CID 8593571) is (2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCCc3cc(C)ccc32)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The InChIKey is LPCKHVVNAKSFTO-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-6-11-20-17(13-14)5-4-12-24(20)15(2)21(26)23-19-9-7-18(8-10-19)22-16(3)25/h6-11,13,15H,4-5,12H2,1-3H3,(H,22,25)(H,23,26)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide is sourced from PubChem (CID 8593571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).