4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline

C16H15ClN2OS — CID 114591522

IUPAC4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline
SMILESCCc1ccsc1-c1nc(Cl)c2cc(OC)cc(C)c2n1
InChIInChI=1S/C16H15ClN2OS/c1-4-10-5-6-21-14(10)16-18-13-9(2)7-11(20-3)8-12(13)15(17)19-16/h5-8H,4H2,1-3H3
InChIKeyXTWFAMUPHOOKLE-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.89
Rot. Bonds3

About 4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline

4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline (PubChem CID 114591522) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline
PubChem CID114591522
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline
SMILESCCc1ccsc1-c1nc(Cl)c2cc(OC)cc(C)c2n1
InChIInChI=1S/C16H15ClN2OS/c1-4-10-5-6-21-14(10)16-18-13-9(2)7-11(20-3)8-12(13)15(17)19-16/h5-8H,4H2,1-3H3
InChIKeyXTWFAMUPHOOKLE-UHFFFAOYSA-N
XLogP4.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline
CID 114590391
4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline
CID 114591036
5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
CID 114591231
4-chloro-2-(3-ethylthiophen-2-yl)-N,N-dimethylquinazolin-6-amine
CID 114591378
6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591070
4-chloro-2-(3-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591314
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
5-bromo-4-chloro-7-methoxy-2-(3-methylthiophen-2-yl)quinazoline
CID 114591757
4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline
CID 114591327
3-ethyl-2-(3-ethylthiophen-2-yl)thiophene
CID 14687766
4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline
CID 114590394
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline?
The IUPAC name of 4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline (CID 114591522) is 4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline?
The canonical SMILES for 4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline is CCc1ccsc1-c1nc(Cl)c2cc(OC)cc(C)c2n1.
What is the InChIKey of 4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline?
The InChIKey is XTWFAMUPHOOKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-4-10-5-6-21-14(10)16-18-13-9(2)7-11(20-3)8-12(13)15(17)19-16/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline?
4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline has a molecular weight of 318.83 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline is sourced from PubChem (CID 114591522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).