6-bromo-N-(3-chlorophenyl)quinazolin-4-amine

C14H9BrClN3 — CID 720635

IUPAC6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
InChIKeyLYKXFKUSOXETGV-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.79
Rot. Bonds2

About 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine

6-bromo-N-(3-chlorophenyl)quinazolin-4-amine (PubChem CID 720635) has the molecular formula C14H9BrClN3 and a molecular weight of 334.60 g/mol. Its IUPAC name is 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
PubChem CID720635
Molecular FormulaC14H9BrClN3
Molecular Weight334.60 g/mol
Exact Mass332.97
IUPAC Name6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
InChIKeyLYKXFKUSOXETGV-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 23941005
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine
CID 87720726
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide
CID 174705931
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736892
6-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)quinazolin-4-amine
CID 69169474
6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
CID 53482314
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine (CID 720635) is 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine is Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1.
What is the InChIKey of 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine?
The InChIKey is LYKXFKUSOXETGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19).
What are the key properties of 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine?
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine has a molecular weight of 334.60 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 720635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).