N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C26H25ClN2O2 — CID 97182675

IUPACN-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(CC(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C26H25ClN2O2/c1-18-16-25(29(19(2)30)22-8-4-3-5-9-22)23-10-6-7-11-24(23)28(18)17-26(31)20-12-14-21(27)15-13-20/h3-15,18,25H,16-17H2,1-2H3/t18-,25-/m0/s1
InChIKeyXJHIYPJJISFYQX-BVZFJXPGSA-N
MW432.95 g/mol
LogP5.92
Rot. Bonds5

About N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 97182675) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID97182675
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC NameN-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(CC(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C26H25ClN2O2/c1-18-16-25(29(19(2)30)22-8-4-3-5-9-22)23-10-6-7-11-24(23)28(18)17-26(31)20-12-14-21(27)15-13-20/h3-15,18,25H,16-17H2,1-2H3/t18-,25-/m0/s1
InChIKeyXJHIYPJJISFYQX-BVZFJXPGSA-N
XLogP5.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxopentanoic acid
CID 21092934
N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859667
N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 76613782
2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 71671201
N-[1-(3,4-difluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859677
N-[(2S,4R)-1-benzoyl-7-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69428809
N-[1-[4-(3-aminopropoxy)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
CID 68921537
N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859976
4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-N-methylanilino]-2,2-dimethylbutanoic acid
CID 11671312
N-[(2S,4R)-1-acetyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7316015
N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721142
N-[(2R,4S)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721140

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 97182675) is N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(CC(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is XJHIYPJJISFYQX-BVZFJXPGSA-N. The full InChI is InChI=1S/C26H25ClN2O2/c1-18-16-25(29(19(2)30)22-8-4-3-5-9-22)23-10-6-7-11-24(23)28(18)17-26(31)20-12-14-21(27)15-13-20/h3-15,18,25H,16-17H2,1-2H3/t18-,25-/m0/s1.
What are the key properties of N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 432.95 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 97182675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).