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

C25H23Cl2N5 — CID 71690751

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine
SMILESClc1ccccc1CNc1nc(N2CCN(c3ccccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C25H23Cl2N5/c26-20-9-3-1-7-18(20)17-28-24-19-8-2-5-11-22(19)29-25(30-24)32-15-13-31(14-16-32)23-12-6-4-10-21(23)27/h1-12H,13-17H2,(H,28,29,30)
InChIKeyPYRYQWDDIAYTSD-UHFFFAOYSA-N
MW464.40 g/mol
LogP5.88
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine (PubChem CID 71690751) has the molecular formula C25H23Cl2N5 and a molecular weight of 464.40 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine
PubChem CID71690751
Molecular FormulaC25H23Cl2N5
Molecular Weight464.40 g/mol
Exact Mass463.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine
SMILESClc1ccccc1CNc1nc(N2CCN(c3ccccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C25H23Cl2N5/c26-20-9-3-1-7-18(20)17-28-24-19-8-2-5-11-22(19)29-25(30-24)32-15-13-31(14-16-32)23-12-6-4-10-21(23)27/h1-12H,13-17H2,(H,28,29,30)
InChIKeyPYRYQWDDIAYTSD-UHFFFAOYSA-N
XLogP5.88
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.40
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
CID 71690759
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)quinazolin-4-amine
CID 71690736
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine
CID 91966246
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91964164
2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 91963312
N-[(2-chlorophenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795113
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine
CID 68726180
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
CID 91963464
2-[4-[4-[(2-chlorophenyl)methylamino]-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
CID 50795107
N-benzyl-2-(4-ethylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 25144317
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963616

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine (CID 71690751) is N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine is Clc1ccccc1CNc1nc(N2CCN(c3ccccc3Cl)CC2)nc2ccccc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine?
The InChIKey is PYRYQWDDIAYTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5/c26-20-9-3-1-7-18(20)17-28-24-19-8-2-5-11-22(19)29-25(30-24)32-15-13-31(14-16-32)23-12-6-4-10-21(23)27/h1-12H,13-17H2,(H,28,29,30).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine?
N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine has a molecular weight of 464.40 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 71690751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).