1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one

C20H24N2O2 — CID 47877423

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one
SMILESCOc1ccc(C)cc1NCCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-15-9-10-19(24-2)17(14-15)21-12-11-20(23)22-13-5-7-16-6-3-4-8-18(16)22/h3-4,6,8-10,14,21H,5,7,11-13H2,1-2H3
InChIKeyNKVWBNQNGKWCNR-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.79
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one (PubChem CID 47877423) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one
PubChem CID47877423
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one
SMILESCOc1ccc(C)cc1NCCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-15-9-10-19(24-2)17(14-15)21-12-11-20(23)22-13-5-7-16-6-3-4-8-18(16)22/h3-4,6,8-10,14,21H,5,7,11-13H2,1-2H3
InChIKeyNKVWBNQNGKWCNR-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110370846
3-(2-methoxy-5-methylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 47877476
ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034988
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 109141445
2-(2-tert-butyl-4-methylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 3285362
3,4-dihydro-2H-quinolin-1-yl-[5-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109242568
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51160617
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51160588

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one (CID 47877423) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one is COc1ccc(C)cc1NCCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one?
The InChIKey is NKVWBNQNGKWCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-9-10-19(24-2)17(14-15)21-12-11-20(23)22-13-5-7-16-6-3-4-8-18(16)22/h3-4,6,8-10,14,21H,5,7,11-13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one is sourced from PubChem (CID 47877423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).