4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one

C15H22N2O2 — CID 65102974

IUPAC4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCC(C)(O)CNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-4-15(2,19)10-16-12-9-14(18)17(3)13-8-6-5-7-11(12)13/h5-8,12,16,19H,4,9-10H2,1-3H3
InChIKeySWQLNXMIPKIFBQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.84
Rot. Bonds4

About 4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one

4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 65102974) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID65102974
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCC(C)(O)CNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-4-15(2,19)10-16-12-9-14(18)17(3)13-8-6-5-7-11(12)13/h5-8,12,16,19H,4,9-10H2,1-3H3
InChIKeySWQLNXMIPKIFBQ-UHFFFAOYSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxypropylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43776299
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 103784381
4-(2-ethylbutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115718008
4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115715625
4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43775263
4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 82706106
2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea
CID 83110177
1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one
CID 43756603
4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 43763715
1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
CID 115895572
1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
CID 63981224
1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
CID 103903270

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (CID 65102974) is 4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one is CCC(C)(O)CNC1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is SWQLNXMIPKIFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-15(2,19)10-16-12-9-14(18)17(3)13-8-6-5-7-11(12)13/h5-8,12,16,19H,4,9-10H2,1-3H3.
What are the key properties of 4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 65102974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).