4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one

C16H24N2O — CID 62119112

IUPAC4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCC(CC)NC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-8-12(5-2)17-14-11-16(19)18(3)15-10-7-6-9-13(14)15/h6-7,9-10,12,14,17H,4-5,8,11H2,1-3H3
InChIKeyGQZPWXPKHABVLS-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.26
Rot. Bonds5

About 4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one

4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 62119112) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID62119112
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCC(CC)NC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-8-12(5-2)17-14-11-16(19)18(3)15-10-7-6-9-13(14)15/h6-7,9-10,12,14,17H,4-5,8,11H2,1-3H3
InChIKeyGQZPWXPKHABVLS-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one (CID 62119112) is 4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one is CCCC(CC)NC1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is GQZPWXPKHABVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-8-12(5-2)17-14-11-16(19)18(3)15-10-7-6-9-13(14)15/h6-7,9-10,12,14,17H,4-5,8,11H2,1-3H3.
What are the key properties of 4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one?
4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 62119112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).