4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline

C23H26ClN5 — CID 25144879

IUPAC4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline
SMILESClc1ccc(N2CCN(c3nc(N4CCCCC4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H26ClN5/c24-18-8-10-19(11-9-18)27-14-16-28(17-15-27)22-20-6-2-3-7-21(20)25-23(26-22)29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-17H2
InChIKeyMVKYBKFQDPPDRL-UHFFFAOYSA-N
MW407.95 g/mol
LogP4.60
Rot. Bonds3

About 4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline

4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline (PubChem CID 25144879) has the molecular formula C23H26ClN5 and a molecular weight of 407.95 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline
PubChem CID25144879
Molecular FormulaC23H26ClN5
Molecular Weight407.95 g/mol
Exact Mass407.19
IUPAC Name4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline
SMILESClc1ccc(N2CCN(c3nc(N4CCCCC4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H26ClN5/c24-18-8-10-19(11-9-18)27-14-16-28(17-15-27)22-20-6-2-3-7-21(20)25-23(26-22)29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-17H2
InChIKeyMVKYBKFQDPPDRL-UHFFFAOYSA-N
XLogP4.60
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline?
The IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline (CID 25144879) is 4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline is Clc1ccc(N2CCN(c3nc(N4CCCCC4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline?
The InChIKey is MVKYBKFQDPPDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5/c24-18-8-10-19(11-9-18)27-14-16-28(17-15-27)22-20-6-2-3-7-21(20)25-23(26-22)29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-17H2.
What are the key properties of 4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline?
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline has a molecular weight of 407.95 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline is sourced from PubChem (CID 25144879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).