6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C15H13BrN4O — CID 71151819

IUPAC6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2c(OC)cc(Br)cc12
InChIInChI=1S/C15H13BrN4O/c1-17-15-11-6-10(16)7-12(21-2)13(11)19-14(20-15)9-4-3-5-18-8-9/h3-8H,1-2H3,(H,17,19,20)
InChIKeyKESUAIXILHEZNU-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.50
Rot. Bonds3

About 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine

6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71151819) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71151819
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2c(OC)cc(Br)cc12
InChIInChI=1S/C15H13BrN4O/c1-17-15-11-6-10(16)7-12(21-2)13(11)19-14(20-15)9-4-3-5-18-8-9/h3-8H,1-2H3,(H,17,19,20)
InChIKeyKESUAIXILHEZNU-UHFFFAOYSA-N
XLogP3.50
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71151819) is 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2c(OC)cc(Br)cc12.
What is the InChIKey of 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is KESUAIXILHEZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-17-15-11-6-10(16)7-12(21-2)13(11)19-14(20-15)9-4-3-5-18-8-9/h3-8H,1-2H3,(H,17,19,20).
What are the key properties of 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 345.20 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71151819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).