2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline

C24H25FN4 — CID 177491942

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline
SMILESFc1ccccc1N1CCN(c2ncc3c(n2)CCC(c2ccccc2)C3)CC1
InChIInChI=1S/C24H25FN4/c25-21-8-4-5-9-23(21)28-12-14-29(15-13-28)24-26-17-20-16-19(10-11-22(20)27-24)18-6-2-1-3-7-18/h1-9,17,19H,10-16H2
InChIKeyKYTPUFAOAJIDFF-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.21
Rot. Bonds3

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline

2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 177491942) has the molecular formula C24H25FN4 and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline
PubChem CID177491942
Molecular FormulaC24H25FN4
Molecular Weight388.49 g/mol
Exact Mass388.21
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline
SMILESFc1ccccc1N1CCN(c2ncc3c(n2)CCC(c2ccccc2)C3)CC1
InChIInChI=1S/C24H25FN4/c25-21-8-4-5-9-23(21)28-12-14-29(15-13-28)24-26-17-20-16-19(10-11-22(20)27-24)18-6-2-1-3-7-18/h1-9,17,19H,10-16H2
InChIKeyKYTPUFAOAJIDFF-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline (CID 177491942) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline is Fc1ccccc1N1CCN(c2ncc3c(n2)CCC(c2ccccc2)C3)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is KYTPUFAOAJIDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4/c25-21-8-4-5-9-23(21)28-12-14-29(15-13-28)24-26-17-20-16-19(10-11-22(20)27-24)18-6-2-1-3-7-18/h1-9,17,19H,10-16H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline?
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 388.49 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 177491942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).