6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one

C20H24N4O — CID 72917872

IUPAC6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CNCCCNc3cccnc3)cc(=O)c2c1
InChIInChI=1S/C20H24N4O/c1-14-9-15(2)20-18(10-14)19(25)11-17(24-20)13-22-7-4-8-23-16-5-3-6-21-12-16/h3,5-6,9-12,22-23H,4,7-8,13H2,1-2H3,(H,24,25)
InChIKeyFZIDUTXQXBFGGP-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.13
Rot. Bonds7

About 6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one

6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one (PubChem CID 72917872) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one
PubChem CID72917872
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CNCCCNc3cccnc3)cc(=O)c2c1
InChIInChI=1S/C20H24N4O/c1-14-9-15(2)20-18(10-14)19(25)11-17(24-20)13-22-7-4-8-23-16-5-3-6-21-12-16/h3,5-6,9-12,22-23H,4,7-8,13H2,1-2H3,(H,24,25)
InChIKeyFZIDUTXQXBFGGP-UHFFFAOYSA-N
XLogP3.13
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,8-dimethyl-2-[[[(2R)-4-methylsulfonylmorpholin-2-yl]methylamino]methyl]-1H-quinolin-4-one
CID 97123849
6,8-dimethyl-2-[[[(3S)-piperidin-3-yl]amino]methyl]-1H-quinolin-4-one;dihydrochloride
CID 154900377
N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 63256061
2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 20931301
2-[[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 135119308
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
5-(pyridin-3-ylamino)pentanoic acid
CID 102421086
6,8-dimethyl-2-[[(4-methylphenyl)methyl-(2-methylpropyl)amino]methyl]-1H-quinolin-4-one
CID 20931343
7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide
CID 172892515
2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one
CID 134080266
2-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 20931394

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one (CID 72917872) is 6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one is Cc1cc(C)c2[nH]c(CNCCCNc3cccnc3)cc(=O)c2c1.
What is the InChIKey of 6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one?
The InChIKey is FZIDUTXQXBFGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-9-15(2)20-18(10-14)19(25)11-17(24-20)13-22-7-4-8-23-16-5-3-6-21-12-16/h3,5-6,9-12,22-23H,4,7-8,13H2,1-2H3,(H,24,25).
What are the key properties of 6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one?
6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one has a molecular weight of 336.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-[[3-(pyridin-3-ylamino)propylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72917872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).