N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine

C18H18ClN5 — CID 122187399

IUPACN-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine
SMILESClc1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)cc1
InChIInChI=1S/C18H18ClN5/c19-13-5-7-14(8-6-13)21-17-15-3-1-2-4-16(15)22-18(23-17)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,22,23)
InChIKeyBULIRMIXOHACFW-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.44
Rot. Bonds3

About N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine

N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine (PubChem CID 122187399) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine
PubChem CID122187399
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC NameN-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine
SMILESClc1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)cc1
InChIInChI=1S/C18H18ClN5/c19-13-5-7-14(8-6-13)21-17-15-3-1-2-4-16(15)22-18(23-17)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,22,23)
InChIKeyBULIRMIXOHACFW-UHFFFAOYSA-N
XLogP3.44
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine (CID 122187399) is N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine is Clc1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine?
The InChIKey is BULIRMIXOHACFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5/c19-13-5-7-14(8-6-13)21-17-15-3-1-2-4-16(15)22-18(23-17)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,22,23).
What are the key properties of N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine?
N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine has a molecular weight of 339.83 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 122187399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).