N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C28H25N3O2 — CID 10003104

IUPACN-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C28H25N3O2/c1-19-18-27(31(20(2)32)22-11-4-3-5-12-22)23-13-7-9-15-26(23)30(19)28(33)25-17-16-21-10-6-8-14-24(21)29-25/h3-17,19,27H,18H2,1-2H3
InChIKeyLBSQRSVRMNNQAC-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.77
Rot. Bonds3

About N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 10003104) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID10003104
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC NameN-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C28H25N3O2/c1-19-18-27(31(20(2)32)22-11-4-3-5-12-22)23-13-7-9-15-26(23)30(19)28(33)25-17-16-21-10-6-8-14-24(21)29-25/h3-17,19,27H,18H2,1-2H3
InChIKeyLBSQRSVRMNNQAC-UHFFFAOYSA-N
XLogP5.77
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-1-(6-methylpyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 10092342
N-[(2S,4R)-2-methyl-1-(pyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69430847
N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 69427096
N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 10070718
N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 2306858
N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69443397
N-[(2S,4R)-1-(2-chloropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 87830961
N-[(2R,4S)-2-methyl-1-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21100551
5-[(2S,4R)-4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-N,N-dimethylthiophene-2-carboxamide
CID 69428031
N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21093009
N-[(4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69464580
N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859966

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 10003104) is N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc3ccccc3n2)c2ccccc21.
What is the InChIKey of N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is LBSQRSVRMNNQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-19-18-27(31(20(2)32)22-11-4-3-5-12-22)23-13-7-9-15-26(23)30(19)28(33)25-17-16-21-10-6-8-14-24(21)29-25/h3-17,19,27H,18H2,1-2H3.
What are the key properties of N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 435.53 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 10003104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).