6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline

C13H13BrN2O2 — CID 135197733

IUPAC6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline
SMILESCc1ncnc2c(O[C@H]3CCOC3)cc(Br)cc12
InChIInChI=1S/C13H13BrN2O2/c1-8-11-4-9(14)5-12(13(11)16-7-15-8)18-10-2-3-17-6-10/h4-5,7,10H,2-3,6H2,1H3/t10-/m0/s1
InChIKeyOGEZORQIEAVSFS-JTQLQIEISA-N
MW309.16 g/mol
LogP2.87
Rot. Bonds2

About 6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline

6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline (PubChem CID 135197733) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline.

Molecular Properties

Compound Name6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline
PubChem CID135197733
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline
SMILESCc1ncnc2c(O[C@H]3CCOC3)cc(Br)cc12
InChIInChI=1S/C13H13BrN2O2/c1-8-11-4-9(14)5-12(13(11)16-7-15-8)18-10-2-3-17-6-10/h4-5,7,10H,2-3,6H2,1H3/t10-/m0/s1
InChIKeyOGEZORQIEAVSFS-JTQLQIEISA-N
XLogP2.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
CID 106949868
6-bromo-4-chloro-7-[(3S)-oxolan-3-yl]oxyquinazoline
CID 169231093
(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane
CID 121407954
3-(5-bromo-2-fluorophenoxy)oxolane
CID 114672573
(2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene
CID 177376243
(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778
1-[5-bromo-3-methyl-2-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
CID 112620014
7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
CID 164962336
4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole
CID 171760536
[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]-phenyldiazene
CID 177376237
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
4-fluoro-6-(oxolan-3-yloxy)pyrimidine
CID 115416188

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline?
The IUPAC name of 6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline (CID 135197733) is 6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline.
What is the SMILES notation for 6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline?
The canonical SMILES for 6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline is Cc1ncnc2c(O[C@H]3CCOC3)cc(Br)cc12.
What is the InChIKey of 6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline?
The InChIKey is OGEZORQIEAVSFS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-11-4-9(14)5-12(13(11)16-7-15-8)18-10-2-3-17-6-10/h4-5,7,10H,2-3,6H2,1H3/t10-/m0/s1.
What are the key properties of 6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline?
6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline has a molecular weight of 309.16 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline is sourced from PubChem (CID 135197733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).