4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline

C14H11Cl2FN2 — CID 63093485

IUPAC4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline
SMILESFc1ccc(-c2nc(Cl)c3c(n2)CCCC3)cc1Cl
InChIInChI=1S/C14H11Cl2FN2/c15-10-7-8(5-6-11(10)17)14-18-12-4-2-1-3-9(12)13(16)19-14/h5-7H,1-4H2
InChIKeyVPIFLWTUBONTQR-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.47
Rot. Bonds1

About 4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline

4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 63093485) has the molecular formula C14H11Cl2FN2 and a molecular weight of 297.16 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID63093485
Molecular FormulaC14H11Cl2FN2
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline
SMILESFc1ccc(-c2nc(Cl)c3c(n2)CCCC3)cc1Cl
InChIInChI=1S/C14H11Cl2FN2/c15-10-7-8(5-6-11(10)17)14-18-12-4-2-1-3-9(12)13(16)19-14/h5-7H,1-4H2
InChIKeyVPIFLWTUBONTQR-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.47
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-(3-fluoro-4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405762
4-chloro-2-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382076
[2-(3-chloro-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 63088195
2-(3-chloro-4-fluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485428
4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline
CID 114076229
4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 114453916
2-(4-bromophenyl)-4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405639
4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 89343072
4-chloro-2-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405558
2-(3-chloro-4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384986
2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738485

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline (CID 63093485) is 4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline is Fc1ccc(-c2nc(Cl)c3c(n2)CCCC3)cc1Cl.
What is the InChIKey of 4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is VPIFLWTUBONTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2/c15-10-7-8(5-6-11(10)17)14-18-12-4-2-1-3-9(12)13(16)19-14/h5-7H,1-4H2.
What are the key properties of 4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 297.16 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 63093485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).