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

C15H13Cl2FN2 — CID 82802480

IUPAC4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
SMILESFc1c(Cl)cccc1Cc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C15H13Cl2FN2/c16-11-6-3-4-9(14(11)18)8-13-19-12-7-2-1-5-10(12)15(17)20-13/h3-4,6H,1-2,5,7-8H2
InChIKeyUEGAQRYQZRTZIB-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.39
Rot. Bonds2

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

4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 82802480) has the molecular formula C15H13Cl2FN2 and a molecular weight of 311.19 g/mol. Its IUPAC name is 4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
PubChem CID82802480
Molecular FormulaC15H13Cl2FN2
Molecular Weight311.19 g/mol
Exact Mass310.04
IUPAC Name4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
SMILESFc1c(Cl)cccc1Cc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C15H13Cl2FN2/c16-11-6-3-4-9(14(11)18)8-13-19-12-7-2-1-5-10(12)15(17)20-13/h3-4,6H,1-2,5,7-8H2
InChIKeyUEGAQRYQZRTZIB-UHFFFAOYSA-N
XLogP4.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350942
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 63024377
[2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 82805386
4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 61382204
2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738674
4-chloro-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382087
2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191391
5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
CID 82803143
4-chloro-2-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 55131237
4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382080
[2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63351433
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405761

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline (CID 82802480) is 4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline is Fc1c(Cl)cccc1Cc1nc(Cl)c2c(n1)CCCC2.
What is the InChIKey of 4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is UEGAQRYQZRTZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2/c16-11-6-3-4-9(14(11)18)8-13-19-12-7-2-1-5-10(12)15(17)20-13/h3-4,6H,1-2,5,7-8H2.
What are the key properties of 4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 311.19 g/mol, XLogP of 4.39, 2 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-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 82802480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).