2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine

C20H22ClN5 — CID 34700412

IUPAC2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C20H22ClN5/c21-16-7-5-15(6-8-16)13-25-9-11-26(12-10-25)14-19-23-18-4-2-1-3-17(18)20(22)24-19/h1-8H,9-14H2,(H2,22,23,24)
InChIKeyPCFWLNBDTBIBAL-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.18
Rot. Bonds4

About 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine

2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine (PubChem CID 34700412) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
PubChem CID34700412
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C20H22ClN5/c21-16-7-5-15(6-8-16)13-25-9-11-26(12-10-25)14-19-23-18-4-2-1-3-17(18)20(22)24-19/h1-8H,9-14H2,(H2,22,23,24)
InChIKeyPCFWLNBDTBIBAL-UHFFFAOYSA-N
XLogP3.18
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine (CID 34700412) is 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine is Nc1nc(CN2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is PCFWLNBDTBIBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c21-16-7-5-15(6-8-16)13-25-9-11-26(12-10-25)14-19-23-18-4-2-1-3-17(18)20(22)24-19/h1-8H,9-14H2,(H2,22,23,24).
What are the key properties of 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine?
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 367.88 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 34700412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).