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

C14H11Cl3N2 — CID 114076229

IUPAC4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline
SMILESClc1ccc(Cl)c(-c2nc(Cl)c3c(n2)CCCC3)c1
InChIInChI=1S/C14H11Cl3N2/c15-8-5-6-11(16)10(7-8)14-18-12-4-2-1-3-9(12)13(17)19-14/h5-7H,1-4H2
InChIKeyUYIZDGUICIHJBQ-UHFFFAOYSA-N
MW313.62 g/mol
LogP4.98
Rot. Bonds1

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

4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 114076229) has the molecular formula C14H11Cl3N2 and a molecular weight of 313.62 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID114076229
Molecular FormulaC14H11Cl3N2
Molecular Weight313.62 g/mol
Exact Mass312.00
IUPAC Name4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline
SMILESClc1ccc(Cl)c(-c2nc(Cl)c3c(n2)CCCC3)c1
InChIInChI=1S/C14H11Cl3N2/c15-8-5-6-11(16)10(7-8)14-18-12-4-2-1-3-9(12)13(17)19-14/h5-7H,1-4H2
InChIKeyUYIZDGUICIHJBQ-UHFFFAOYSA-N
XLogP4.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.62
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(3,4-dichlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405249
4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 89343072
4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline
CID 63093485
4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline
CID 61382244
4-chloro-2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62387415
2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 103083572
4-chloro-2-(2,4-dichlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470760
4-chloro-2-(3-fluoro-4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405762
4-chloro-2-(2-methylfuran-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 104789145
2-(4-bromophenyl)-4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405639
4-chloro-2-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405558
2-(1-benzothiophen-3-yl)-4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline (CID 114076229) is 4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline is Clc1ccc(Cl)c(-c2nc(Cl)c3c(n2)CCCC3)c1.
What is the InChIKey of 4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is UYIZDGUICIHJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2/c15-8-5-6-11(16)10(7-8)14-18-12-4-2-1-3-9(12)13(17)19-14/h5-7H,1-4H2.
What are the key properties of 4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 313.62 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 114076229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).