(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone

C17H18N2O2 — CID 107670570

IUPAC(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C17H18N2O2/c1-11-9-14(20)5-6-15(11)17(21)19-8-2-3-12-10-13(18)4-7-16(12)19/h4-7,9-10,20H,2-3,8,18H2,1H3
InChIKeyBOXWKIYCZGBITJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.88
Rot. Bonds1

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

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 107670570) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
PubChem CID107670570
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C17H18N2O2/c1-11-9-14(20)5-6-15(11)17(21)19-8-2-3-12-10-13(18)4-7-16(12)19/h4-7,9-10,20H,2-3,8,18H2,1H3
InChIKeyBOXWKIYCZGBITJ-UHFFFAOYSA-N
XLogP2.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone (CID 107670570) is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone is Cc1cc(O)ccc1C(=O)N1CCCc2cc(N)ccc21.
What is the InChIKey of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is BOXWKIYCZGBITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-9-14(20)5-6-15(11)17(21)19-8-2-3-12-10-13(18)4-7-16(12)19/h4-7,9-10,20H,2-3,8,18H2,1H3.
What are the key properties of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 107670570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).