4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one

C17H18N2O2 — CID 115715625

IUPAC4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCc2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C17H18N2O2/c1-19-16-5-3-2-4-14(16)15(10-17(19)21)18-11-12-6-8-13(20)9-7-12/h2-9,15,18,20H,10-11H2,1H3
InChIKeyYAOCEJXZDBMKFB-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.59
Rot. Bonds3

About 4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one

4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 115715625) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID115715625
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCc2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C17H18N2O2/c1-19-16-5-3-2-4-14(16)15(10-17(19)21)18-11-12-6-8-13(20)9-7-12/h2-9,15,18,20H,10-11H2,1H3
InChIKeyYAOCEJXZDBMKFB-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.59
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-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 43763715
4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 65102974
4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43775263
4-(2-ethylbutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115718008
2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea
CID 83110177
1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
CID 63981224
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-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 103784381
4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 82706106
1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one
CID 43756603

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one (CID 115715625) is 4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CC(NCc2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is YAOCEJXZDBMKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-16-5-3-2-4-14(16)15(10-17(19)21)18-11-12-6-8-13(20)9-7-12/h2-9,15,18,20H,10-11H2,1H3.
What are the key properties of 4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115715625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).