1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone

C24H32N2O2 — CID 54822111

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
SMILESCCCCCCCOc1ccc(NCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H32N2O2/c1-2-3-4-5-8-18-28-22-15-13-21(14-16-22)25-19-24(27)26-17-9-11-20-10-6-7-12-23(20)26/h6-7,10,12-16,25H,2-5,8-9,11,17-19H2,1H3
InChIKeyFENBUHLPHVZMMV-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.43
Rot. Bonds10

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone (PubChem CID 54822111) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
PubChem CID54822111
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
SMILESCCCCCCCOc1ccc(NCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H32N2O2/c1-2-3-4-5-8-18-28-22-15-13-21(14-16-22)25-19-24(27)26-17-9-11-20-10-6-7-12-23(20)26/h6-7,10,12-16,25H,2-5,8-9,11,17-19H2,1H3
InChIKeyFENBUHLPHVZMMV-UHFFFAOYSA-N
XLogP5.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552
2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54823310
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
CID 54825093
2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 3136446
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone
CID 4732912
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838496

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone (CID 54822111) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone is CCCCCCCOc1ccc(NCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone?
The InChIKey is FENBUHLPHVZMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-2-3-4-5-8-18-28-22-15-13-21(14-16-22)25-19-24(27)26-17-9-11-20-10-6-7-12-23(20)26/h6-7,10,12-16,25H,2-5,8-9,11,17-19H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone has a molecular weight of 380.53 g/mol, XLogP of 5.43, 10 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)-2-(4-heptoxyanilino)ethanone is sourced from PubChem (CID 54822111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).