1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one

C23H30N2O — CID 155547794

IUPAC1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccc(CN(C)CCCCN2C(=O)CCc3ccccc32)c(C)c1
InChIInChI=1S/C23H30N2O/c1-18-10-11-21(19(2)16-18)17-24(3)14-6-7-15-25-22-9-5-4-8-20(22)12-13-23(25)26/h4-5,8-11,16H,6-7,12-15,17H2,1-3H3
InChIKeyXSXHPHKBHYXVMP-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.49
Rot. Bonds7

About 1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one

1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one (PubChem CID 155547794) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one
PubChem CID155547794
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccc(CN(C)CCCCN2C(=O)CCc3ccccc32)c(C)c1
InChIInChI=1S/C23H30N2O/c1-18-10-11-21(19(2)16-18)17-24(3)14-6-7-15-25-22-9-5-4-8-20(22)12-13-23(25)26/h4-5,8-11,16H,6-7,12-15,17H2,1-3H3
InChIKeyXSXHPHKBHYXVMP-UHFFFAOYSA-N
XLogP4.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-(4-Butyl-1-piperidinyl)propyl)-3,4-dihydro-2(1H)-quinolinone
CID 10236758
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
1-(3-(4-phenylpiperazin-1-yl)propyl)-3,4-dihydroquinolin-2(1H)-one
CID 14925759
1-(8-Phenyl-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl)-ethanone
CID 44409135
4-(3-Fluoro-phenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 3149754
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
1-(1-Naphthoyl)-1,2,3,4-tetrahydroquinoline
CID 593315
4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-N-mesitylbenzamide
CID 982581
1-[(E)-6-(3,4-dihydro-1H-isoquinolin-2-yl)hex-3-enyl]-3H-indol-2-one
CID 102364516
N-[[(3R,4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinolin-3-yl]methyl]propanamide
CID 137631636
4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)quinolin-2-ol
CID 2481641
Cnksnsxwtodism-uhfffaoysa-
CID 10570585

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one (CID 155547794) is 1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one is Cc1ccc(CN(C)CCCCN2C(=O)CCc3ccccc32)c(C)c1.
What is the InChIKey of 1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one?
The InChIKey is XSXHPHKBHYXVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18-10-11-21(19(2)16-18)17-24(3)14-6-7-15-25-22-9-5-4-8-20(22)12-13-23(25)26/h4-5,8-11,16H,6-7,12-15,17H2,1-3H3.
What are the key properties of 1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one?
1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one has a molecular weight of 350.51 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dimethylphenyl)methyl-methylamino]butyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 155547794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).