4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline

C14H11ClN2OS — CID 63086379

IUPAC4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline
SMILESCOc1ccc2nc(-c3ccc(C)s3)nc(Cl)c2c1
InChIInChI=1S/C14H11ClN2OS/c1-8-3-6-12(19-8)14-16-11-5-4-9(18-2)7-10(11)13(15)17-14/h3-7H,1-2H3
InChIKeyXRIXESVYIOLYBI-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.33
Rot. Bonds2

About 4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline

4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline (PubChem CID 63086379) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline
PubChem CID63086379
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline
SMILESCOc1ccc2nc(-c3ccc(C)s3)nc(Cl)c2c1
InChIInChI=1S/C14H11ClN2OS/c1-8-3-6-12(19-8)14-16-11-5-4-9(18-2)7-10(11)13(15)17-14/h3-7H,1-2H3
InChIKeyXRIXESVYIOLYBI-UHFFFAOYSA-N
XLogP4.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine
CID 114591367
4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine
CID 86612211
4-chloro-6-methoxy-2-propylquinazoline
CID 106584452
4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline
CID 114590653
4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
CID 114590549
5-bromo-4-chloro-2-(5-ethylthiophen-2-yl)-7-methoxyquinazoline
CID 114591758
4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline
CID 114590560
4-chloro-2-(5-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591312
5-bromo-4-chloro-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine
CID 66312422
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline
CID 114590589
1-chloro-3,4-difluoro-6-methoxyisoquinoline
CID 174525787

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline?
The IUPAC name of 4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline (CID 63086379) is 4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline.
What is the SMILES notation for 4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline?
The canonical SMILES for 4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline is COc1ccc2nc(-c3ccc(C)s3)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline?
The InChIKey is XRIXESVYIOLYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-8-3-6-12(19-8)14-16-11-5-4-9(18-2)7-10(11)13(15)17-14/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline?
4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline has a molecular weight of 290.78 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline is sourced from PubChem (CID 63086379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).