3-bromo-N-quinolin-2-ylquinolin-2-amine

C18H12BrN3 — CID 102472002

IUPAC3-bromo-N-quinolin-2-ylquinolin-2-amine
SMILESBrc1cc2ccccc2nc1Nc1ccc2ccccc2n1
InChIInChI=1S/C18H12BrN3/c19-14-11-13-6-2-4-8-16(13)21-18(14)22-17-10-9-12-5-1-3-7-15(12)20-17/h1-11H,(H,20,21,22)
InChIKeyDQOUYCXWZQCVTH-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.29
Rot. Bonds2

About 3-bromo-N-quinolin-2-ylquinolin-2-amine

3-bromo-N-quinolin-2-ylquinolin-2-amine (PubChem CID 102472002) has the molecular formula C18H12BrN3 and a molecular weight of 350.22 g/mol. Its IUPAC name is 3-bromo-N-quinolin-2-ylquinolin-2-amine.

Molecular Properties

Compound Name3-bromo-N-quinolin-2-ylquinolin-2-amine
PubChem CID102472002
Molecular FormulaC18H12BrN3
Molecular Weight350.22 g/mol
Exact Mass349.02
IUPAC Name3-bromo-N-quinolin-2-ylquinolin-2-amine
SMILESBrc1cc2ccccc2nc1Nc1ccc2ccccc2n1
InChIInChI=1S/C18H12BrN3/c19-14-11-13-6-2-4-8-16(13)21-18(14)22-17-10-9-12-5-1-3-7-15(12)20-17/h1-11H,(H,20,21,22)
InChIKeyDQOUYCXWZQCVTH-UHFFFAOYSA-N
XLogP5.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quipazine
CID 5011
2-Aminoquinoline
CID 11379
6-Bromoquipazine
CID 130261
N-(3-bromophenyl)quinazolin-4-amine
CID 735125
N,2-diphenylquinazolin-4-amine
CID 698960
Quinazoline, 2,4-dianilino-
CID 213847
Acridine, 9-(p-bromoanilino)-
CID 53345
6-bromo-N2-phenylquinazoline-2,4-diamine
CID 145998261
4-N-(3-bromophenyl)quinazoline-4,5-diamine
CID 5328039
4,6-dimethyl-N-phenylquinolin-2-amine
CID 687170
Urea, N-phenyl-N'-2-quinolinyl-
CID 2812761
2-(3-Bromophenyl)-7-methyl-1,8-naphthyridine
CID 44434745

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-quinolin-2-ylquinolin-2-amine?
The IUPAC name of 3-bromo-N-quinolin-2-ylquinolin-2-amine (CID 102472002) is 3-bromo-N-quinolin-2-ylquinolin-2-amine.
What is the SMILES notation for 3-bromo-N-quinolin-2-ylquinolin-2-amine?
The canonical SMILES for 3-bromo-N-quinolin-2-ylquinolin-2-amine is Brc1cc2ccccc2nc1Nc1ccc2ccccc2n1.
What is the InChIKey of 3-bromo-N-quinolin-2-ylquinolin-2-amine?
The InChIKey is DQOUYCXWZQCVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3/c19-14-11-13-6-2-4-8-16(13)21-18(14)22-17-10-9-12-5-1-3-7-15(12)20-17/h1-11H,(H,20,21,22).
What are the key properties of 3-bromo-N-quinolin-2-ylquinolin-2-amine?
3-bromo-N-quinolin-2-ylquinolin-2-amine has a molecular weight of 350.22 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-quinolin-2-ylquinolin-2-amine is sourced from PubChem (CID 102472002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).