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

C15H14ClFN2 — CID 61382204

IUPAC4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
SMILESFc1ccc(Cc2nc(Cl)c3c(n2)CCCC3)cc1
InChIInChI=1S/C15H14ClFN2/c16-15-12-3-1-2-4-13(12)18-14(19-15)9-10-5-7-11(17)8-6-10/h5-8H,1-4,9H2
InChIKeyGBTHFYKDMQLEBD-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.74
Rot. Bonds2

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

4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 61382204) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
PubChem CID61382204
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
SMILESFc1ccc(Cc2nc(Cl)c3c(n2)CCCC3)cc1
InChIInChI=1S/C15H14ClFN2/c16-15-12-3-1-2-4-13(12)18-14(19-15)9-10-5-7-11(17)8-6-10/h5-8H,1-4,9H2
InChIKeyGBTHFYKDMQLEBD-UHFFFAOYSA-N
XLogP3.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline (CID 61382204) is 4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline is Fc1ccc(Cc2nc(Cl)c3c(n2)CCCC3)cc1.
What is the InChIKey of 4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is GBTHFYKDMQLEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2/c16-15-12-3-1-2-4-13(12)18-14(19-15)9-10-5-7-11(17)8-6-10/h5-8H,1-4,9H2.
What are the key properties of 4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 276.74 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 61382204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).