6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one

C17H18N2O2 — CID 43737991

IUPAC6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Nc1ccc2c(c1)CCC(=O)N2)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-11(12-2-6-15(20)7-3-12)18-14-5-8-16-13(10-14)4-9-17(21)19-16/h2-3,5-8,10-11,18,20H,4,9H2,1H3,(H,19,21)
InChIKeyNFVAHTVHQWDUNT-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.45
Rot. Bonds3

About 6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one

6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43737991) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43737991
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Nc1ccc2c(c1)CCC(=O)N2)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-11(12-2-6-15(20)7-3-12)18-14-5-8-16-13(10-14)4-9-17(21)19-16/h2-3,5-8,10-11,18,20H,4,9H2,1H3,(H,19,21)
InChIKeyNFVAHTVHQWDUNT-UHFFFAOYSA-N
XLogP3.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
6-[1-(4-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723169
6-[1-(4-methyl-2-pyridinyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 126801805
6-[1-(5-ethylthiophen-2-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 61335706
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 64629940
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34308913
6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34308649
6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 97021644

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one (CID 43737991) is 6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one is CC(Nc1ccc2c(c1)CCC(=O)N2)c1ccc(O)cc1.
What is the InChIKey of 6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NFVAHTVHQWDUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11(12-2-6-15(20)7-3-12)18-14-5-8-16-13(10-14)4-9-17(21)19-16/h2-3,5-8,10-11,18,20H,4,9H2,1H3,(H,19,21).
What are the key properties of 6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43737991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).