4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol

C26H29N3O3 — CID 142882860

IUPAC4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)Nc2ccccc2)c2ccccc21.CO
InChIInChI=1S/C25H25N3O2.CH4O/c1-18-17-24(28(19(2)29)21-13-7-4-8-14-21)22-15-9-10-16-23(22)27(18)25(30)26-20-11-5-3-6-12-20;1-2/h3-16,18,24H,17H2,1-2H3,(H,26,30);2H,1H3
InChIKeyKVZLMRLRENJBJM-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.22
Rot. Bonds3

About 4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol

4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol (PubChem CID 142882860) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol.

Molecular Properties

Compound Name4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol
PubChem CID142882860
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)Nc2ccccc2)c2ccccc21.CO
InChIInChI=1S/C25H25N3O2.CH4O/c1-18-17-24(28(19(2)29)21-13-7-4-8-14-21)22-15-9-10-16-23(22)27(18)25(30)26-20-11-5-3-6-12-20;1-2/h3-16,18,24H,17H2,1-2H3,(H,26,30);2H,1H3
InChIKeyKVZLMRLRENJBJM-UHFFFAOYSA-N
XLogP5.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,4S)-2-methyl-1-[4-(methylcarbamoylamino)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21093097
(2R,4R)-N-(3,4-dichlorophenyl)-4-[N-[(3,4-dichlorophenyl)carbamoyl]anilino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 98063597
N-[(2S,4R)-2-methyl-1-(pyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69430847
N-[2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 5290618
N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 2306858
N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7315666
N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 5497812
N-[(2S,4R)-1-(2-chloropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 87830961
N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 69427096
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)-2-methyl-1-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21100551
N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 9499477

Frequently Asked Questions

What is the IUPAC name of 4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol?
The IUPAC name of 4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol (CID 142882860) is 4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol.
What is the SMILES notation for 4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol?
The canonical SMILES for 4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol is CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)Nc2ccccc2)c2ccccc21.CO.
What is the InChIKey of 4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol?
The InChIKey is KVZLMRLRENJBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2.CH4O/c1-18-17-24(28(19(2)29)21-13-7-4-8-14-21)22-15-9-10-16-23(22)27(18)25(30)26-20-11-5-3-6-12-20;1-2/h3-16,18,24H,17H2,1-2H3,(H,26,30);2H,1H3.
What are the key properties of 4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol?
4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol has a molecular weight of 431.54 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol is sourced from PubChem (CID 142882860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).