6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C16H16N2O3 — CID 43737966

IUPAC6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3ccc(O)cc3O)ccc2N1
InChIInChI=1S/C16H16N2O3/c19-13-4-1-11(15(20)8-13)9-17-12-3-5-14-10(7-12)2-6-16(21)18-14/h1,3-5,7-8,17,19-20H,2,6,9H2,(H,18,21)
InChIKeyKDQWMVUGLCAQRB-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.59
Rot. Bonds3

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

6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43737966) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43737966
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3ccc(O)cc3O)ccc2N1
InChIInChI=1S/C16H16N2O3/c19-13-4-1-11(15(20)8-13)9-17-12-3-5-14-10(7-12)2-6-16(21)18-14/h1,3-5,7-8,17,19-20H,2,6,9H2,(H,18,21)
InChIKeyKDQWMVUGLCAQRB-UHFFFAOYSA-N
XLogP2.59
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 114841931
6-[(4-bromo-2-chlorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 115743080
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737971
N,N-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetamide
CID 82498512
6-[[5-(4-hydroxyphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 165437155
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115205137
6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737991
6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104749401
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 43737966) is 6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(NCc3ccc(O)cc3O)ccc2N1.
What is the InChIKey of 6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KDQWMVUGLCAQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-13-4-1-11(15(20)8-13)9-17-12-3-5-14-10(7-12)2-6-16(21)18-14/h1,3-5,7-8,17,19-20H,2,6,9H2,(H,18,21).
What are the key properties of 6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 284.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43737966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).