4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine

C19H18BrClN2 — CID 72702006

IUPAC4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine
SMILESCC(C)(C)Nc1nc2ccccc2c(Br)c1-c1cccc(Cl)c1
InChIInChI=1S/C19H18BrClN2/c1-19(2,3)23-18-16(12-7-6-8-13(21)11-12)17(20)14-9-4-5-10-15(14)22-18/h4-11H,1-3H3,(H,22,23)
InChIKeyVFCYQIXTLLCVIR-UHFFFAOYSA-N
MW389.72 g/mol
LogP6.53
Rot. Bonds2

About 4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine

4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine (PubChem CID 72702006) has the molecular formula C19H18BrClN2 and a molecular weight of 389.72 g/mol. Its IUPAC name is 4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine.

Molecular Properties

Compound Name4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine
PubChem CID72702006
Molecular FormulaC19H18BrClN2
Molecular Weight389.72 g/mol
Exact Mass388.03
IUPAC Name4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine
SMILESCC(C)(C)Nc1nc2ccccc2c(Br)c1-c1cccc(Cl)c1
InChIInChI=1S/C19H18BrClN2/c1-19(2,3)23-18-16(12-7-6-8-13(21)11-12)17(20)14-9-4-5-10-15(14)22-18/h4-11H,1-3H3,(H,22,23)
InChIKeyVFCYQIXTLLCVIR-UHFFFAOYSA-N
XLogP6.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine?
The IUPAC name of 4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine (CID 72702006) is 4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine.
What is the SMILES notation for 4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine?
The canonical SMILES for 4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine is CC(C)(C)Nc1nc2ccccc2c(Br)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine?
The InChIKey is VFCYQIXTLLCVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2/c1-19(2,3)23-18-16(12-7-6-8-13(21)11-12)17(20)14-9-4-5-10-15(14)22-18/h4-11H,1-3H3,(H,22,23).
What are the key properties of 4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine?
4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine has a molecular weight of 389.72 g/mol, XLogP of 6.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-tert-butyl-3-(3-chlorophenyl)quinolin-2-amine is sourced from PubChem (CID 72702006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).