4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline

C14H15ClN2S — CID 55186179

IUPAC4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline
SMILESCCc1ccc(-c2nc(Cl)c3c(n2)CCCC3)s1
InChIInChI=1S/C14H15ClN2S/c1-2-9-7-8-12(18-9)14-16-11-6-4-3-5-10(11)13(15)17-14/h7-8H,2-6H2,1H3
InChIKeyUTSWHWMJRIUZFJ-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.30
Rot. Bonds2

About 4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline

4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 55186179) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline
PubChem CID55186179
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline
SMILESCCc1ccc(-c2nc(Cl)c3c(n2)CCCC3)s1
InChIInChI=1S/C14H15ClN2S/c1-2-9-7-8-12(18-9)14-16-11-6-4-3-5-10(11)13(15)17-14/h7-8H,2-6H2,1H3
InChIKeyUTSWHWMJRIUZFJ-UHFFFAOYSA-N
XLogP4.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline (CID 55186179) is 4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline is CCc1ccc(-c2nc(Cl)c3c(n2)CCCC3)s1.
What is the InChIKey of 4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is UTSWHWMJRIUZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-2-9-7-8-12(18-9)14-16-11-6-4-3-5-10(11)13(15)17-14/h7-8H,2-6H2,1H3.
What are the key properties of 4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 278.81 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 55186179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).