5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline

C15H12BrClN2OS — CID 114591758

IUPAC5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline
SMILESCCc1ccc(-c2nc(Cl)c3c(Br)cc(OC)cc3n2)s1
InChIInChI=1S/C15H12BrClN2OS/c1-3-9-4-5-12(21-9)15-18-11-7-8(20-2)6-10(16)13(11)14(17)19-15/h4-7H,3H2,1-2H3
InChIKeyGBSBZNDWVLSQLE-UHFFFAOYSA-N
MW383.70 g/mol
LogP5.35
Rot. Bonds3

About 5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline

5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline (PubChem CID 114591758) has the molecular formula C15H12BrClN2OS and a molecular weight of 383.70 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline
PubChem CID114591758
Molecular FormulaC15H12BrClN2OS
Molecular Weight383.70 g/mol
Exact Mass381.95
IUPAC Name5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline
SMILESCCc1ccc(-c2nc(Cl)c3c(Br)cc(OC)cc3n2)s1
InChIInChI=1S/C15H12BrClN2OS/c1-3-9-4-5-12(21-9)15-18-11-7-8(20-2)6-10(16)13(11)14(17)19-15/h4-7H,3H2,1-2H3
InChIKeyGBSBZNDWVLSQLE-UHFFFAOYSA-N
XLogP5.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.70
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-ethyl-7-methoxyquinazoline
CID 114591753
5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline
CID 114591757
4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine
CID 63613023
5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline
CID 114693397
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66314228
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine
CID 66313212
4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline
CID 63086379
4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline
CID 55186179
4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62320899
5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 66297120
6-(3,5-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)-7H-purine
CID 155753614

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline?
The IUPAC name of 5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline (CID 114591758) is 5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline.
What is the SMILES notation for 5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline?
The canonical SMILES for 5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline is CCc1ccc(-c2nc(Cl)c3c(Br)cc(OC)cc3n2)s1.
What is the InChIKey of 5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline?
The InChIKey is GBSBZNDWVLSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2OS/c1-3-9-4-5-12(21-9)15-18-11-7-8(20-2)6-10(16)13(11)14(17)19-15/h4-7H,3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline?
5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline has a molecular weight of 383.70 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline is sourced from PubChem (CID 114591758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).