(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone

C16H16N2O3 — CID 107687651

IUPAC(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1c(O)cccc1O)CCC2
InChIInChI=1S/C16H16N2O3/c17-11-7-6-10-3-2-8-18(12(10)9-11)16(21)15-13(19)4-1-5-14(15)20/h1,4-7,9,19-20H,2-3,8,17H2
InChIKeySGRYVHMJBUQYCA-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.27
Rot. Bonds1

About (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone (PubChem CID 107687651) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
PubChem CID107687651
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1c(O)cccc1O)CCC2
InChIInChI=1S/C16H16N2O3/c17-11-7-6-10-3-2-8-18(12(10)9-11)16(21)15-13(19)4-1-5-14(15)20/h1,4-7,9,19-20H,2-3,8,17H2
InChIKeySGRYVHMJBUQYCA-UHFFFAOYSA-N
XLogP2.27
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone
CID 62266196
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 62266720
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 80744116
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62265851
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone
CID 114558361
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809490

Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone (CID 107687651) is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone.
What is the SMILES notation for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The canonical SMILES for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone is Nc1ccc2c(c1)N(C(=O)c1c(O)cccc1O)CCC2.
What is the InChIKey of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The InChIKey is SGRYVHMJBUQYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-11-7-6-10-3-2-8-18(12(10)9-11)16(21)15-13(19)4-1-5-14(15)20/h1,4-7,9,19-20H,2-3,8,17H2.
What are the key properties of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone?
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone has a molecular weight of 284.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone is sourced from PubChem (CID 107687651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).