4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline

C11H11ClN2O2S — CID 114693063

IUPAC4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline
SMILESCOc1cc2nc(SC)nc(Cl)c2cc1OC
InChIInChI=1S/C11H11ClN2O2S/c1-15-8-4-6-7(5-9(8)16-2)13-11(17-3)14-10(6)12/h4-5H,1-3H3
InChIKeyVZROFZUBLDOELX-UHFFFAOYSA-N
MW270.74 g/mol
LogP3.02
Rot. Bonds3

About 4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline

4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline (PubChem CID 114693063) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline.

Molecular Properties

Compound Name4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline
PubChem CID114693063
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline
SMILESCOc1cc2nc(SC)nc(Cl)c2cc1OC
InChIInChI=1S/C11H11ClN2O2S/c1-15-8-4-6-7(5-9(8)16-2)13-11(17-3)14-10(6)12/h4-5H,1-3H3
InChIKeyVZROFZUBLDOELX-UHFFFAOYSA-N
XLogP3.02
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
CID 15003627
4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline
CID 90236933
4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
CID 22693550
4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine
CID 118020221
4-chloro-6,7-dimethoxyquinolin-2-amine
CID 141028770
2,4-dichloro-6-methoxy-7-propoxyquinazoline
CID 21330888
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
4-chloro-6,7-dimethoxy-2-methylquinoline
CID 39732475
5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline
CID 114693397
7-bromo-2,4-dichloro-6-methoxyquinazoline
CID 155682427
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline
CID 139921672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline?
The IUPAC name of 4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline (CID 114693063) is 4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline.
What is the SMILES notation for 4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline?
The canonical SMILES for 4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline is COc1cc2nc(SC)nc(Cl)c2cc1OC.
What is the InChIKey of 4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline?
The InChIKey is VZROFZUBLDOELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-15-8-4-6-7(5-9(8)16-2)13-11(17-3)14-10(6)12/h4-5H,1-3H3.
What are the key properties of 4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline?
4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline has a molecular weight of 270.74 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline is sourced from PubChem (CID 114693063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).