8-bromo-2-chloro-N-methylquinazolin-4-amine

C9H7BrClN3 — CID 114693495

IUPAC8-bromo-2-chloro-N-methylquinazolin-4-amine
SMILESCNc1nc(Cl)nc2c(Br)cccc12
InChIInChI=1S/C9H7BrClN3/c1-12-8-5-3-2-4-6(10)7(5)13-9(11)14-8/h2-4H,1H3,(H,12,13,14)
InChIKeyWJEOPJZAFXHGHQ-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.09
Rot. Bonds1

About 8-bromo-2-chloro-N-methylquinazolin-4-amine

8-bromo-2-chloro-N-methylquinazolin-4-amine (PubChem CID 114693495) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 8-bromo-2-chloro-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-2-chloro-N-methylquinazolin-4-amine
PubChem CID114693495
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name8-bromo-2-chloro-N-methylquinazolin-4-amine
SMILESCNc1nc(Cl)nc2c(Br)cccc12
InChIInChI=1S/C9H7BrClN3/c1-12-8-5-3-2-4-6(10)7(5)13-9(11)14-8/h2-4H,1H3,(H,12,13,14)
InChIKeyWJEOPJZAFXHGHQ-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-N-methylquinazolin-4-amine?
The IUPAC name of 8-bromo-2-chloro-N-methylquinazolin-4-amine (CID 114693495) is 8-bromo-2-chloro-N-methylquinazolin-4-amine.
What is the SMILES notation for 8-bromo-2-chloro-N-methylquinazolin-4-amine?
The canonical SMILES for 8-bromo-2-chloro-N-methylquinazolin-4-amine is CNc1nc(Cl)nc2c(Br)cccc12.
What is the InChIKey of 8-bromo-2-chloro-N-methylquinazolin-4-amine?
The InChIKey is WJEOPJZAFXHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c1-12-8-5-3-2-4-6(10)7(5)13-9(11)14-8/h2-4H,1H3,(H,12,13,14).
What are the key properties of 8-bromo-2-chloro-N-methylquinazolin-4-amine?
8-bromo-2-chloro-N-methylquinazolin-4-amine has a molecular weight of 272.53 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-N-methylquinazolin-4-amine is sourced from PubChem (CID 114693495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).