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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Related Compounds

[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 37132593
2-[[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 30648593
1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
CID 80702487
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
2-[[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333645
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 66507575
2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine
CID 115304884
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 33120826
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 136529350
2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
CID 87017628
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816

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).