4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline

C15H13ClN2OS — CID 114591036

IUPAC4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline
SMILESCCc1cccc2c(Cl)nc(-c3sccc3OC)nc12
InChIInChI=1S/C15H13ClN2OS/c1-3-9-5-4-6-10-12(9)17-15(18-14(10)16)13-11(19-2)7-8-20-13/h4-8H,3H2,1-2H3
InChIKeyPUIFFMHSGRZZKR-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.58
Rot. Bonds3

About 4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline

4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline (PubChem CID 114591036) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline.

Molecular Properties

Compound Name4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline
PubChem CID114591036
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline
SMILESCCc1cccc2c(Cl)nc(-c3sccc3OC)nc12
InChIInChI=1S/C15H13ClN2OS/c1-3-9-5-4-6-10-12(9)17-15(18-14(10)16)13-11(19-2)7-8-20-13/h4-8H,3H2,1-2H3
InChIKeyPUIFFMHSGRZZKR-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(3-ethylthiophen-2-yl)-6-methoxy-8-methylquinazoline
CID 114591522
4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline
CID 114590391
4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline
CID 114591032
4-chloro-2-(3-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591314
4-chloro-2-(3-methoxythiophen-2-yl)-7-nitroquinazoline
CID 114589452
4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline
CID 114591044
3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
CID 10609306
4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline
CID 63086198
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
ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
CID 87073372
2-[[5-(3-methoxythiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 113431581

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline?
The IUPAC name of 4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline (CID 114591036) is 4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline.
What is the SMILES notation for 4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline?
The canonical SMILES for 4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline is CCc1cccc2c(Cl)nc(-c3sccc3OC)nc12.
What is the InChIKey of 4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline?
The InChIKey is PUIFFMHSGRZZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-3-9-5-4-6-10-12(9)17-15(18-14(10)16)13-11(19-2)7-8-20-13/h4-8H,3H2,1-2H3.
What are the key properties of 4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline?
4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline has a molecular weight of 304.80 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline is sourced from PubChem (CID 114591036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).