8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine

C13H14BrN3O — CID 94415325

IUPAC8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine
SMILESBrc1cccc2c(NC[C@H]3CCOC3)ncnc12
InChIInChI=1S/C13H14BrN3O/c14-11-3-1-2-10-12(11)16-8-17-13(10)15-6-9-4-5-18-7-9/h1-3,8-9H,4-7H2,(H,15,16,17)/t9-/m1/s1
InChIKeyMCQATQGTSYGYJX-SECBINFHSA-N
MW308.18 g/mol
LogP2.84
Rot. Bonds3

About 8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine

8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine (PubChem CID 94415325) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine
PubChem CID94415325
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine
SMILESBrc1cccc2c(NC[C@H]3CCOC3)ncnc12
InChIInChI=1S/C13H14BrN3O/c14-11-3-1-2-10-12(11)16-8-17-13(10)15-6-9-4-5-18-7-9/h1-3,8-9H,4-7H2,(H,15,16,17)/t9-/m1/s1
InChIKeyMCQATQGTSYGYJX-SECBINFHSA-N
XLogP2.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine?
The IUPAC name of 8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine (CID 94415325) is 8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine is Brc1cccc2c(NC[C@H]3CCOC3)ncnc12.
What is the InChIKey of 8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine?
The InChIKey is MCQATQGTSYGYJX-SECBINFHSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-11-3-1-2-10-12(11)16-8-17-13(10)15-6-9-4-5-18-7-9/h1-3,8-9H,4-7H2,(H,15,16,17)/t9-/m1/s1.
What are the key properties of 8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine?
8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 94415325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).