N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine

C36H38N4 — CID 54577393

IUPACN'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
SMILESc1ccc2c(c1)Cc1c-2nc2ccccc2c1NCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C36H38N4/c1(2-12-22-37-34-27-16-6-9-19-31(27)39-32-20-10-7-17-28(32)34)3-13-23-38-35-29-18-8-11-21-33(29)40-36-26-15-5-4-14-25(26)24-30(35)36/h4-6,8-9,11,14-16,18-19,21H,1-3,7,10,12-13,17,20,22-24H2,(H,37,39)(H,38,40)
InChIKeyCYAYCBCGPZWTLM-UHFFFAOYSA-N
MW526.73 g/mol
LogP8.71
Rot. Bonds10

About N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine

N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine (PubChem CID 54577393) has the molecular formula C36H38N4 and a molecular weight of 526.73 g/mol. Its IUPAC name is N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine.

Molecular Properties

Compound NameN'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
PubChem CID54577393
Molecular FormulaC36H38N4
Molecular Weight526.73 g/mol
Exact Mass526.31
IUPAC NameN'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
SMILESc1ccc2c(c1)Cc1c-2nc2ccccc2c1NCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C36H38N4/c1(2-12-22-37-34-27-16-6-9-19-31(27)39-32-20-10-7-17-28(32)34)3-13-23-38-35-29-18-8-11-21-33(29)40-36-26-15-5-4-14-25(26)24-30(35)36/h4-6,8-9,11,14-16,18-19,21H,1-3,7,10,12-13,17,20,22-24H2,(H,37,39)(H,38,40)
InChIKeyCYAYCBCGPZWTLM-UHFFFAOYSA-N
XLogP8.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.73
LogP ≤ 58.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
The IUPAC name of N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine (CID 54577393) is N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine.
What is the SMILES notation for N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
The canonical SMILES for N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine is c1ccc2c(c1)Cc1c-2nc2ccccc2c1NCCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
The InChIKey is CYAYCBCGPZWTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N4/c1(2-12-22-37-34-27-16-6-9-19-31(27)39-32-20-10-7-17-28(32)34)3-13-23-38-35-29-18-8-11-21-33(29)40-36-26-15-5-4-14-25(26)24-30(35)36/h4-6,8-9,11,14-16,18-19,21H,1-3,7,10,12-13,17,20,22-24H2,(H,37,39)(H,38,40).
What are the key properties of N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine?
N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine has a molecular weight of 526.73 g/mol, XLogP of 8.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine is sourced from PubChem (CID 54577393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).