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

C15H22N2O — CID 43756603

IUPAC1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one
SMILESCCC(CC)NC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-4-11(5-2)16-13-10-15(18)17(3)14-9-7-6-8-12(13)14/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeyLATOQNILWXLJJR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.87
Rot. Bonds4

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

1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one (PubChem CID 43756603) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one
PubChem CID43756603
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one
SMILESCCC(CC)NC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-4-11(5-2)16-13-10-15(18)17(3)14-9-7-6-8-12(13)14/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeyLATOQNILWXLJJR-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hexan-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 62119112
4-(hex-1-yn-3-ylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 106226748
4-(2-ethylbutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115718008
4-(2-hydroxypropylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43776299
4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 82706106
1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
CID 115895572
1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
CID 103903270
4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 65102974
1-methyl-4-[1-(5-methylthiophen-2-yl)ethylamino]-3,4-dihydroquinolin-2-one
CID 61472977
4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43775263
1-methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3,4-dihydroquinolin-2-one
CID 43783931
1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one
CID 81392821

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one (CID 43756603) is 1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one is CCC(CC)NC1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one?
The InChIKey is LATOQNILWXLJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-11(5-2)16-13-10-15(18)17(3)14-9-7-6-8-12(13)14/h6-9,11,13,16H,4-5,10H2,1-3H3.
What are the key properties of 1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one?
1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43756603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).