5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one

C24H29N3O — CID 46950102

IUPAC5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC(C)CC4)cc3)cc12
InChIInChI=1S/C24H29N3O/c1-16-10-12-27(13-11-16)21-8-6-20(7-9-21)25-15-19-14-22-17(2)4-5-18(3)23(22)26-24(19)28/h4-9,14,16,25H,10-13,15H2,1-3H3,(H,26,28)
InChIKeyKVXPFZCUJVPQJW-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.99
Rot. Bonds4

About 5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one

5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one (PubChem CID 46950102) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one
PubChem CID46950102
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC(C)CC4)cc3)cc12
InChIInChI=1S/C24H29N3O/c1-16-10-12-27(13-11-16)21-8-6-20(7-9-21)25-15-19-14-22-17(2)4-5-18(3)23(22)26-24(19)28/h4-9,14,16,25H,10-13,15H2,1-3H3,(H,26,28)
InChIKeyKVXPFZCUJVPQJW-UHFFFAOYSA-N
XLogP4.99
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Azetukalner
CID 24743936
Iferanserin
CID 6445539
7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one
CID 168285892
N-[[1-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide
CID 122189396
N-[[(3R,4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinolin-3-yl]methyl]propanamide
CID 137631636
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 771787
N-(7,8-Dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-phenethyl-acetamide
CID 855653
N-(7-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-m-tolyl-ethyl)-acetamide
CID 1453411
N-(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-m-tolyl-ethyl)-acetamide
CID 1453546
N-(2,5-dimethylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145283
7-Methyl-3-[(2-o-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176400
7-Methyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176403

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one?
The IUPAC name of 5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one (CID 46950102) is 5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one is Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC(C)CC4)cc3)cc12.
What is the InChIKey of 5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one?
The InChIKey is KVXPFZCUJVPQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-16-10-12-27(13-11-16)21-8-6-20(7-9-21)25-15-19-14-22-17(2)4-5-18(3)23(22)26-24(19)28/h4-9,14,16,25H,10-13,15H2,1-3H3,(H,26,28).
What are the key properties of 5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one?
5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one has a molecular weight of 375.52 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 46950102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).