2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine

C25H31N5 — CID 2972912

IUPAC2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
SMILESc1ccc(CN2CCN(c3nc(NC4CCCCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C25H31N5/c1-3-9-20(10-4-1)19-29-15-17-30(18-16-29)25-27-23-14-8-7-13-22(23)24(28-25)26-21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,26,27,28)
InChIKeyMYDPSOFYTVXHMI-UHFFFAOYSA-N
MW401.56 g/mol
LogP4.70
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine

2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine (PubChem CID 2972912) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
PubChem CID2972912
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
SMILESc1ccc(CN2CCN(c3nc(NC4CCCCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C25H31N5/c1-3-9-20(10-4-1)19-29-15-17-30(18-16-29)25-27-23-14-8-7-13-22(23)24(28-25)26-21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,26,27,28)
InChIKeyMYDPSOFYTVXHMI-UHFFFAOYSA-N
XLogP4.70
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 71570992
[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone
CID 71571140
N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
CID 59682699
4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol
CID 145433688
3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine
CID 112942226
2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 59682658
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
CID 155533577
2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 142861903
2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone
CID 59682659
N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine
CID 21004205
2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964161

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine (CID 2972912) is 2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine is c1ccc(CN2CCN(c3nc(NC4CCCCC4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine?
The InChIKey is MYDPSOFYTVXHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5/c1-3-9-20(10-4-1)19-29-15-17-30(18-16-29)25-27-23-14-8-7-13-22(23)24(28-25)26-21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,26,27,28).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine?
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine has a molecular weight of 401.56 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine is sourced from PubChem (CID 2972912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).