(4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone

C16H16N2O3 — CID 114343065

IUPAC(4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone
SMILESNC1CCN(C(=O)c2cccc(O)c2O)c2ccccc21
InChIInChI=1S/C16H16N2O3/c17-12-8-9-18(13-6-2-1-4-10(12)13)16(21)11-5-3-7-14(19)15(11)20/h1-7,12,19-20H,8-9,17H2
InChIKeyJEMBNHKGUUPMNM-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.15
Rot. Bonds1

About (4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone

(4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone (PubChem CID 114343065) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone
PubChem CID114343065
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone
SMILESNC1CCN(C(=O)c2cccc(O)c2O)c2ccccc21
InChIInChI=1S/C16H16N2O3/c17-12-8-9-18(13-6-2-1-4-10(12)13)16(21)11-5-3-7-14(19)15(11)20/h1-7,12,19-20H,8-9,17H2
InChIKeyJEMBNHKGUUPMNM-UHFFFAOYSA-N
XLogP2.15
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 114343657
(2,6-dihydroxyphenyl)-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107690164
tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18337536
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone
CID 114335653
(2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709489
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636848
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone
CID 114335609
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103161307
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2,3-dimethylbutan-1-one
CID 114335617
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103555258
(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
CID 123223883

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone?
The IUPAC name of (4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone (CID 114343065) is (4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone.
What is the SMILES notation for (4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone?
The canonical SMILES for (4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone is NC1CCN(C(=O)c2cccc(O)c2O)c2ccccc21.
What is the InChIKey of (4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone?
The InChIKey is JEMBNHKGUUPMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-12-8-9-18(13-6-2-1-4-10(12)13)16(21)11-5-3-7-14(19)15(11)20/h1-7,12,19-20H,8-9,17H2.
What are the key properties of (4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone?
(4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone has a molecular weight of 284.32 g/mol, XLogP of 2.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone is sourced from PubChem (CID 114343065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).