3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine

C19H18BrClN2 — CID 72701858

IUPAC3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine
SMILESCCCCNc1nc2ccccc2c(Cl)c1-c1ccccc1Br
InChIInChI=1S/C19H18BrClN2/c1-2-3-12-22-19-17(13-8-4-6-10-15(13)20)18(21)14-9-5-7-11-16(14)23-19/h4-11H,2-3,12H2,1H3,(H,22,23)
InChIKeyHXVFNAXFSDBCNA-UHFFFAOYSA-N
MW389.72 g/mol
LogP6.53
Rot. Bonds5

About 3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine

3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine (PubChem CID 72701858) has the molecular formula C19H18BrClN2 and a molecular weight of 389.72 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine
PubChem CID72701858
Molecular FormulaC19H18BrClN2
Molecular Weight389.72 g/mol
Exact Mass388.03
IUPAC Name3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine
SMILESCCCCNc1nc2ccccc2c(Cl)c1-c1ccccc1Br
InChIInChI=1S/C19H18BrClN2/c1-2-3-12-22-19-17(13-8-4-6-10-15(13)20)18(21)14-9-5-7-11-16(14)23-19/h4-11H,2-3,12H2,1H3,(H,22,23)
InChIKeyHXVFNAXFSDBCNA-UHFFFAOYSA-N
XLogP6.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.72
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine
CID 142747337
6-(butylamino)-8-fluorothiochromeno[2,3-c]quinolin-12-one
CID 161026331
N-pentyl-3-phenylquinolin-2-amine
CID 68572649
4-chloro-2,3-didecylquinoline
CID 141080010
N-butyl-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-amine
CID 3631316
4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine
CID 72701717
4-(butylamino)-2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 141107443
ethyl 3-amino-4-(butylamino)thieno[3,2-c]quinoline-2-carboxylate
CID 11163711
N-butyl-4-methylphthalazin-1-amine
CID 43395112
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
9-butylacridine
CID 606127
2-(1,3-benzothiazol-2-yl)-N-butylaniline
CID 83380537

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine?
The IUPAC name of 3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine (CID 72701858) is 3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine is CCCCNc1nc2ccccc2c(Cl)c1-c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine?
The InChIKey is HXVFNAXFSDBCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2/c1-2-3-12-22-19-17(13-8-4-6-10-15(13)20)18(21)14-9-5-7-11-16(14)23-19/h4-11H,2-3,12H2,1H3,(H,22,23).
What are the key properties of 3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine?
3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine has a molecular weight of 389.72 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine is sourced from PubChem (CID 72701858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).