(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone

C17H17BrN2O — CID 81110443

IUPAC(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)N2CCCc3cc(N)ccc32)c1
InChIInChI=1S/C17H17BrN2O/c1-11-4-6-15(18)14(9-11)17(21)20-8-2-3-12-10-13(19)5-7-16(12)20/h4-7,9-10H,2-3,8,19H2,1H3
InChIKeyNFNDHQNRJUBZLJ-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.93
Rot. Bonds1

About (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone (PubChem CID 81110443) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone.

Molecular Properties

Compound Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone
PubChem CID81110443
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)N2CCCc3cc(N)ccc32)c1
InChIInChI=1S/C17H17BrN2O/c1-11-4-6-15(18)14(9-11)17(21)20-8-2-3-12-10-13(19)5-7-16(12)20/h4-7,9-10H,2-3,8,19H2,1H3
InChIKeyNFNDHQNRJUBZLJ-UHFFFAOYSA-N
XLogP3.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
(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)-(2,4-dimethylphenyl)methanone
CID 62266897
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107670570
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809490
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79976034
(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63109770
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 28707202
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone
CID 114558361
(4-amino-1-methylpyrrol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43642979
(2,5-dimethylfuran-3-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 27212095
(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103608124

Frequently Asked Questions

What is the IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone?
The IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone (CID 81110443) is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone.
What is the SMILES notation for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone?
The canonical SMILES for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone is Cc1ccc(Br)c(C(=O)N2CCCc3cc(N)ccc32)c1.
What is the InChIKey of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone?
The InChIKey is NFNDHQNRJUBZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11-4-6-15(18)14(9-11)17(21)20-8-2-3-12-10-13(19)5-7-16(12)20/h4-7,9-10H,2-3,8,19H2,1H3.
What are the key properties of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone?
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone has a molecular weight of 345.24 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone is sourced from PubChem (CID 81110443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).