N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine

C32H38N6 — CID 143397729

IUPACN-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
SMILESCNCCCNc1nc(CN2CCN(C3c4ccccc4CCc4ccccc43)CC2)nc2ccccc12
InChIInChI=1S/C32H38N6/c1-33-17-8-18-34-32-28-13-6-7-14-29(28)35-30(36-32)23-37-19-21-38(22-20-37)31-26-11-4-2-9-24(26)15-16-25-10-3-5-12-27(25)31/h2-7,9-14,31,33H,8,15-23H2,1H3,(H,34,35,36)
InChIKeyNXRRZOUFXWFQOE-UHFFFAOYSA-N
MW506.70 g/mol
LogP4.66
Rot. Bonds8

About N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine

N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine (PubChem CID 143397729) has the molecular formula C32H38N6 and a molecular weight of 506.70 g/mol. Its IUPAC name is N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
PubChem CID143397729
Molecular FormulaC32H38N6
Molecular Weight506.70 g/mol
Exact Mass506.32
IUPAC NameN-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
SMILESCNCCCNc1nc(CN2CCN(C3c4ccccc4CCc4ccccc43)CC2)nc2ccccc12
InChIInChI=1S/C32H38N6/c1-33-17-8-18-34-32-28-13-6-7-14-29(28)35-30(36-32)23-37-19-21-38(22-20-37)31-26-11-4-2-9-24(26)15-16-25-10-3-5-12-27(25)31/h2-7,9-14,31,33H,8,15-23H2,1H3,(H,34,35,36)
InChIKeyNXRRZOUFXWFQOE-UHFFFAOYSA-N
XLogP4.66
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.70
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine with MolForge

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Related Compounds

N-methyl-N'-[2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143397861
N-methyl-N'-[2-[[4-[(1-phenylsulfanylpyrrol-2-yl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143397156
N-[2-[[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]methyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 58809609
N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine
CID 143397435
N-[2-[[4-(2,2-diphenylethyl)piperazin-1-yl]methyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 58809144
CID 89386434
CID 89386434
N-[2-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 71216896
[4-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]-phenylmethanone
CID 58809654
2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine
CID 143396564
(3Z,5Z)-1-[4-[[4-[3-(methylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-2-methylidene-7-phenoxyocta-3,5-dien-1-one
CID 143397284
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
CID 21004071
N-[2-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 58809721

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine (CID 143397729) is N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine is CNCCCNc1nc(CN2CCN(C3c4ccccc4CCc4ccccc43)CC2)nc2ccccc12.
What is the InChIKey of N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine?
The InChIKey is NXRRZOUFXWFQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6/c1-33-17-8-18-34-32-28-13-6-7-14-29(28)35-30(36-32)23-37-19-21-38(22-20-37)31-26-11-4-2-9-24(26)15-16-25-10-3-5-12-27(25)31/h2-7,9-14,31,33H,8,15-23H2,1H3,(H,34,35,36).
What are the key properties of N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine?
N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 506.70 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 143397729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).