1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one

C17H24N2O — CID 81244322

IUPAC1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one
SMILESCC(C)CCC(C)Nc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-12(2)9-10-13(3)18-15-11-17(20)19(4)16-8-6-5-7-14(15)16/h5-8,11-13,18H,9-10H2,1-4H3
InChIKeyDUFZAJDZUUOPMY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.78
Rot. Bonds5

About 1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one

1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one (PubChem CID 81244322) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one
PubChem CID81244322
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one
SMILESCC(C)CCC(C)Nc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-12(2)9-10-13(3)18-15-11-17(20)19(4)16-8-6-5-7-14(15)16/h5-8,11-13,18H,9-10H2,1-4H3
InChIKeyDUFZAJDZUUOPMY-UHFFFAOYSA-N
XLogP3.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one?
The IUPAC name of 1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one (CID 81244322) is 1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one.
What is the SMILES notation for 1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one?
The canonical SMILES for 1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one is CC(C)CCC(C)Nc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one?
The InChIKey is DUFZAJDZUUOPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)9-10-13(3)18-15-11-17(20)19(4)16-8-6-5-7-14(15)16/h5-8,11-13,18H,9-10H2,1-4H3.
What are the key properties of 1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one?
1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methylhexan-2-ylamino)quinolin-2-one is sourced from PubChem (CID 81244322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).