4-bromo-6-butoxy-7-methoxyquinazoline

C13H15BrN2O2 — CID 177191947

IUPAC4-bromo-6-butoxy-7-methoxyquinazoline
SMILESCCCCOc1cc2c(Br)ncnc2cc1OC
InChIInChI=1S/C13H15BrN2O2/c1-3-4-5-18-12-6-9-10(7-11(12)17-2)15-8-16-13(9)14/h6-8H,3-5H2,1-2H3
InChIKeyNMPFDXXQSGHTLU-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.58
Rot. Bonds5

About 4-bromo-6-butoxy-7-methoxyquinazoline

4-bromo-6-butoxy-7-methoxyquinazoline (PubChem CID 177191947) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-bromo-6-butoxy-7-methoxyquinazoline.

Molecular Properties

Compound Name4-bromo-6-butoxy-7-methoxyquinazoline
PubChem CID177191947
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name4-bromo-6-butoxy-7-methoxyquinazoline
SMILESCCCCOc1cc2c(Br)ncnc2cc1OC
InChIInChI=1S/C13H15BrN2O2/c1-3-4-5-18-12-6-9-10(7-11(12)17-2)15-8-16-13(9)14/h6-8H,3-5H2,1-2H3
InChIKeyNMPFDXXQSGHTLU-UHFFFAOYSA-N
XLogP3.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
2,7-dimethoxy-3,6,10,11-tetrapentoxytriphenylene
CID 10054806
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
6,7-dimethoxy-4-propylquinazoline
CID 4077807
7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline
CID 130473194
[dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silyl]oxy-dihydroxy-[3-(6,7,10,11-tetrabutoxy-3-methoxytriphenylen-2-yl)oxypropyl]silane
CID 11593392
6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
CID 87867120
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
6,7-dimethoxy-4-methylquinazoline
CID 4319422
7-butoxy-6-methoxyquinoline
CID 161197918
2-bromo-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
CID 11704732

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-butoxy-7-methoxyquinazoline?
The IUPAC name of 4-bromo-6-butoxy-7-methoxyquinazoline (CID 177191947) is 4-bromo-6-butoxy-7-methoxyquinazoline.
What is the SMILES notation for 4-bromo-6-butoxy-7-methoxyquinazoline?
The canonical SMILES for 4-bromo-6-butoxy-7-methoxyquinazoline is CCCCOc1cc2c(Br)ncnc2cc1OC.
What is the InChIKey of 4-bromo-6-butoxy-7-methoxyquinazoline?
The InChIKey is NMPFDXXQSGHTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-3-4-5-18-12-6-9-10(7-11(12)17-2)15-8-16-13(9)14/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-bromo-6-butoxy-7-methoxyquinazoline?
4-bromo-6-butoxy-7-methoxyquinazoline has a molecular weight of 311.18 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-butoxy-7-methoxyquinazoline is sourced from PubChem (CID 177191947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).