4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline

C15H13ClN2O2S — CID 114591327

IUPAC4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline
SMILESCOc1cc(OC)c2c(Cl)nc(-c3sccc3C)nc2c1
InChIInChI=1S/C15H13ClN2O2S/c1-8-4-5-21-13(8)15-17-10-6-9(19-2)7-11(20-3)12(10)14(16)18-15/h4-7H,1-3H3
InChIKeyWXLXFNSNAWIHIE-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.34
Rot. Bonds3

About 4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline

4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline (PubChem CID 114591327) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline.

Molecular Properties

Compound Name4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline
PubChem CID114591327
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline
SMILESCOc1cc(OC)c2c(Cl)nc(-c3sccc3C)nc2c1
InChIInChI=1S/C15H13ClN2O2S/c1-8-4-5-21-13(8)15-17-10-6-9(19-2)7-11(20-3)12(10)14(16)18-15/h4-7H,1-3H3
InChIKeyWXLXFNSNAWIHIE-UHFFFAOYSA-N
XLogP4.34
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline
CID 114591757
5-bromo-4-chloro-6-methyl-2-(3-methylthiophen-2-yl)pyrimidine
CID 66312815
4-chloro-5,7-dimethoxy-2-methylquinoline
CID 43668663
2-[chloro-(2,4,6-trimethoxyphenyl)methyl]-3-methylthiophene
CID 61084330
4-chloro-5-methoxy-2-thiophen-2-ylquinazoline
CID 22124922
4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline
CID 114591522
4,6-dichloro-5-(3-methylphenyl)-2-(3-methylthiophen-2-yl)pyrimidine
CID 79422292
2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde
CID 84640028
4-chloro-2-(3-methoxythiophen-2-yl)-7-nitroquinazoline
CID 114589452
4-chloro-5,7-dimethoxy-2-phenylquinoline
CID 43668662
5,7-dimethoxy-2-methylquinazolin-4-amine
CID 121232340
4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
CID 43557747

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline?
The IUPAC name of 4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline (CID 114591327) is 4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline.
What is the SMILES notation for 4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline?
The canonical SMILES for 4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline is COc1cc(OC)c2c(Cl)nc(-c3sccc3C)nc2c1.
What is the InChIKey of 4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline?
The InChIKey is WXLXFNSNAWIHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-8-4-5-21-13(8)15-17-10-6-9(19-2)7-11(20-3)12(10)14(16)18-15/h4-7H,1-3H3.
What are the key properties of 4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline?
4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline has a molecular weight of 320.80 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline is sourced from PubChem (CID 114591327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).