6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol

C14H11BrN4O — CID 71151557

IUPAC6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol
SMILESCNc1nc(-c2cccnc2)nc2c(O)cc(Br)cc12
InChIInChI=1S/C14H11BrN4O/c1-16-14-10-5-9(15)6-11(20)12(10)18-13(19-14)8-3-2-4-17-7-8/h2-7,20H,1H3,(H,16,18,19)
InChIKeyDNYBNGMSJPOLJK-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.20
Rot. Bonds2

About 6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol

6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol (PubChem CID 71151557) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol.

Molecular Properties

Compound Name6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol
PubChem CID71151557
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol
SMILESCNc1nc(-c2cccnc2)nc2c(O)cc(Br)cc12
InChIInChI=1S/C14H11BrN4O/c1-16-14-10-5-9(15)6-11(20)12(10)18-13(19-14)8-3-2-4-17-7-8/h2-7,20H,1H3,(H,16,18,19)
InChIKeyDNYBNGMSJPOLJK-UHFFFAOYSA-N
XLogP3.20
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol?
The IUPAC name of 6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol (CID 71151557) is 6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol.
What is the SMILES notation for 6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol?
The canonical SMILES for 6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol is CNc1nc(-c2cccnc2)nc2c(O)cc(Br)cc12.
What is the InChIKey of 6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol?
The InChIKey is DNYBNGMSJPOLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-16-14-10-5-9(15)6-11(20)12(10)18-13(19-14)8-3-2-4-17-7-8/h2-7,20H,1H3,(H,16,18,19).
What are the key properties of 6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol?
6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol has a molecular weight of 331.17 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol is sourced from PubChem (CID 71151557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).