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

C15H13Cl2FN2 — CID 63024377

IUPAC4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
SMILESFc1cccc(Cl)c1Cc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C15H13Cl2FN2/c16-11-5-3-6-12(18)10(11)8-14-19-13-7-2-1-4-9(13)15(17)20-14/h3,5-6H,1-2,4,7-8H2
InChIKeyQIZQIQUCQLQHQX-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.39
Rot. Bonds2

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

4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 63024377) has the molecular formula C15H13Cl2FN2 and a molecular weight of 311.19 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
PubChem CID63024377
Molecular FormulaC15H13Cl2FN2
Molecular Weight311.19 g/mol
Exact Mass310.04
IUPAC Name4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
SMILESFc1cccc(Cl)c1Cc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C15H13Cl2FN2/c16-11-5-3-6-12(18)10(11)8-14-19-13-7-2-1-4-9(13)15(17)20-14/h3,5-6H,1-2,4,7-8H2
InChIKeyQIZQIQUCQLQHQX-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-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 82802480
4-chloro-2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350942
2-[(2-chloro-6-fluorophenyl)methyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975205
4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 61382204
4-chloro-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382087
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one
CID 63023526
2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine
CID 63023527
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine
CID 66293688
4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382080
4-chloro-2-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 55131237
2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline (CID 63024377) is 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline is Fc1cccc(Cl)c1Cc1nc(Cl)c2c(n1)CCCC2.
What is the InChIKey of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is QIZQIQUCQLQHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2/c16-11-5-3-6-12(18)10(11)8-14-19-13-7-2-1-4-9(13)15(17)20-14/h3,5-6H,1-2,4,7-8H2.
What are the key properties of 4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-[(2-chloro-6-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-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 63024377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).