4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline

C27H26FN5 — CID 45484806

IUPAC4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline
SMILESFc1ccc(C2N=C(N3CCN(c4ccccn4)CC3)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C27H26FN5/c28-21-11-8-20(9-12-21)25-23-13-10-19-5-1-2-6-22(19)26(23)31-27(30-25)33-17-15-32(16-18-33)24-7-3-4-14-29-24/h1-9,11-12,14,25H,10,13,15-18H2,(H,30,31)
InChIKeyWGCPWIKTQUMQID-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.40
Rot. Bonds2

About 4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline

4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline (PubChem CID 45484806) has the molecular formula C27H26FN5 and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline
PubChem CID45484806
Molecular FormulaC27H26FN5
Molecular Weight439.54 g/mol
Exact Mass439.22
IUPAC Name4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline
SMILESFc1ccc(C2N=C(N3CCN(c4ccccn4)CC3)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C27H26FN5/c28-21-11-8-20(9-12-21)25-23-13-10-19-5-1-2-6-22(19)26(23)31-27(30-25)33-17-15-32(16-18-33)24-7-3-4-14-29-24/h1-9,11-12,14,25H,10,13,15-18H2,(H,30,31)
InChIKeyWGCPWIKTQUMQID-UHFFFAOYSA-N
XLogP4.40
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline with MolForge

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Related Compounds

CID 4205
CID 4205
CID 11565518
CID 11565518
CID 3085219
CID 3085219
CID 3085218
CID 3085218
CID 25020250
CID 25020250
CID 56947354
CID 56947354
CID 71720883
CID 71720883
CID 11000026
CID 11000026
CID 217000
CID 217000
CID 46205968
CID 46205968
CID 10640891
CID 10640891
CID 15887436
CID 15887436

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline (CID 45484806) is 4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline is Fc1ccc(C2N=C(N3CCN(c4ccccn4)CC3)NC3=C2CCc2ccccc23)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline?
The InChIKey is WGCPWIKTQUMQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5/c28-21-11-8-20(9-12-21)25-23-13-10-19-5-1-2-6-22(19)26(23)31-27(30-25)33-17-15-32(16-18-33)24-7-3-4-14-29-24/h1-9,11-12,14,25H,10,13,15-18H2,(H,30,31).
What are the key properties of 4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline?
4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline has a molecular weight of 439.54 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline is sourced from PubChem (CID 45484806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).