6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine

C14H8Br2ClN3 — CID 23941005

IUPAC6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3c(Br)cc(Br)cc23)c1
InChIInChI=1S/C14H8Br2ClN3/c15-8-4-11-13(12(16)5-8)18-7-19-14(11)20-10-3-1-2-9(17)6-10/h1-7H,(H,18,19,20)
InChIKeyLAWBYWLAUNDAGI-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.55
Rot. Bonds2

About 6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine

6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine (PubChem CID 23941005) has the molecular formula C14H8Br2ClN3 and a molecular weight of 413.50 g/mol. Its IUPAC name is 6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine
PubChem CID23941005
Molecular FormulaC14H8Br2ClN3
Molecular Weight413.50 g/mol
Exact Mass410.88
IUPAC Name6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3c(Br)cc(Br)cc23)c1
InChIInChI=1S/C14H8Br2ClN3/c15-8-4-11-13(12(16)5-8)18-7-19-14(11)20-10-3-1-2-9(17)6-10/h1-7H,(H,18,19,20)
InChIKeyLAWBYWLAUNDAGI-UHFFFAOYSA-N
XLogP5.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
CID 12806772
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
3,5-dibromo-N-(3-chlorophenyl)pyridin-2-amine
CID 13314026
6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23966453
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 23282803
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
8-N-(3-chlorophenyl)-4-N-[(4-chlorophenyl)methylideneamino]pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 169260201
N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine
CID 11494140

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine?
The IUPAC name of 6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine (CID 23941005) is 6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine.
What is the SMILES notation for 6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine?
The canonical SMILES for 6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine is Clc1cccc(Nc2ncnc3c(Br)cc(Br)cc23)c1.
What is the InChIKey of 6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine?
The InChIKey is LAWBYWLAUNDAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClN3/c15-8-4-11-13(12(16)5-8)18-7-19-14(11)20-10-3-1-2-9(17)6-10/h1-7H,(H,18,19,20).
What are the key properties of 6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine?
6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine has a molecular weight of 413.50 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 23941005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).