3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one

C20H24N2O — CID 11266831

IUPAC3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one
SMILESCNCCCC1Cc2ccccc2N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C20H24N2O/c1-15-9-11-18(12-10-15)22-19-8-4-3-6-16(19)14-17(20(22)23)7-5-13-21-2/h3-4,6,8-12,17,21H,5,7,13-14H2,1-2H3
InChIKeyDFPNKBKLTJXKDT-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.83
Rot. Bonds5

About 3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one

3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one (PubChem CID 11266831) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one
PubChem CID11266831
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one
SMILESCNCCCC1Cc2ccccc2N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C20H24N2O/c1-15-9-11-18(12-10-15)22-19-8-4-3-6-16(19)14-17(20(22)23)7-5-13-21-2/h3-4,6,8-12,17,21H,5,7,13-14H2,1-2H3
InChIKeyDFPNKBKLTJXKDT-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hydrocarbostyril
CID 64796
Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
1-(3-(4-Butyl-1-piperidinyl)propyl)-3,4-dihydro-2(1H)-quinolinone
CID 10236758
6-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one
CID 12000936
Iferanserin
CID 6445539
N-Benzyl-4-(2-diphenyl)-1-piperazinehexanamide
CID 25107518
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 9908450
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 10200425
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 10862359
N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}propanamide
CID 10905508
(4S)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}hexanamide
CID 10938664

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one (CID 11266831) is 3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one is CNCCCC1Cc2ccccc2N(c2ccc(C)cc2)C1=O.
What is the InChIKey of 3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one?
The InChIKey is DFPNKBKLTJXKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-9-11-18(12-10-15)22-19-8-4-3-6-16(19)14-17(20(22)23)7-5-13-21-2/h3-4,6,8-12,17,21H,5,7,13-14H2,1-2H3.
What are the key properties of 3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one?
3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one has a molecular weight of 308.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)propyl]-1-(4-methylphenyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 11266831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).