(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone

C16H14BrClN2O — CID 107986323

IUPAC(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1Br)CCC2
InChIInChI=1S/C16H14BrClN2O/c17-14-8-11(18)4-6-13(14)16(21)20-7-1-2-10-3-5-12(19)9-15(10)20/h3-6,8-9H,1-2,7,19H2
InChIKeyVZELQOOIAJMTAZ-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.28
Rot. Bonds1

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

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone (PubChem CID 107986323) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone
PubChem CID107986323
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1Br)CCC2
InChIInChI=1S/C16H14BrClN2O/c17-14-8-11(18)4-6-13(14)16(21)20-7-1-2-10-3-5-12(19)9-15(10)20/h3-6,8-9H,1-2,7,19H2
InChIKeyVZELQOOIAJMTAZ-UHFFFAOYSA-N
XLogP4.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.28
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

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 62266898
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
(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
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
(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-5-methylphenyl)methanone
CID 81110443
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107959291
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone
CID 62266196
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284

Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone?
The IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone (CID 107986323) is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone.
What is the SMILES notation for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone?
The canonical SMILES for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone is Nc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1Br)CCC2.
What is the InChIKey of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone?
The InChIKey is VZELQOOIAJMTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-14-8-11(18)4-6-13(14)16(21)20-7-1-2-10-3-5-12(19)9-15(10)20/h3-6,8-9H,1-2,7,19H2.
What are the key properties of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone?
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone has a molecular weight of 365.66 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone is sourced from PubChem (CID 107986323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).