4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline

C23H24ClN3 — CID 45484752

IUPAC4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline
SMILESClc1ccc(C2N=C(N3CCCCC3)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C23H24ClN3/c24-18-11-8-17(9-12-18)21-20-13-10-16-6-2-3-7-19(16)22(20)26-23(25-21)27-14-4-1-5-15-27/h2-3,6-9,11-12,21H,1,4-5,10,13-15H2,(H,25,26)
InChIKeyJQSZXOKOBLQGJB-UHFFFAOYSA-N
MW377.92 g/mol
LogP5.18
Rot. Bonds1

About 4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline

4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline (PubChem CID 45484752) has the molecular formula C23H24ClN3 and a molecular weight of 377.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline
PubChem CID45484752
Molecular FormulaC23H24ClN3
Molecular Weight377.92 g/mol
Exact Mass377.17
IUPAC Name4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline
SMILESClc1ccc(C2N=C(N3CCCCC3)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C23H24ClN3/c24-18-11-8-17(9-12-18)21-20-13-10-16-6-2-3-7-19(16)22(20)26-23(25-21)27-14-4-1-5-15-27/h2-3,6-9,11-12,21H,1,4-5,10,13-15H2,(H,25,26)
InChIKeyJQSZXOKOBLQGJB-UHFFFAOYSA-N
XLogP5.18
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline?
The IUPAC name of 4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline (CID 45484752) is 4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline.
What is the SMILES notation for 4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline?
The canonical SMILES for 4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline is Clc1ccc(C2N=C(N3CCCCC3)NC3=C2CCc2ccccc23)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline?
The InChIKey is JQSZXOKOBLQGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3/c24-18-11-8-17(9-12-18)21-20-13-10-16-6-2-3-7-19(16)22(20)26-23(25-21)27-14-4-1-5-15-27/h2-3,6-9,11-12,21H,1,4-5,10,13-15H2,(H,25,26).
What are the key properties of 4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline?
4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline has a molecular weight of 377.92 g/mol, XLogP of 5.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline is sourced from PubChem (CID 45484752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).