N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide

C30H35ClN4O — CID 11283475

IUPACN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35)
InChIKeyNFWZCWJFWPWUFN-UHFFFAOYSA-N
MW503.09 g/mol
LogP6.97
Rot. Bonds11

About N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide

N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 11283475) has the molecular formula C30H35ClN4O and a molecular weight of 503.09 g/mol. Its IUPAC name is N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide
PubChem CID11283475
Molecular FormulaC30H35ClN4O
Molecular Weight503.09 g/mol
Exact Mass502.25
IUPAC NameN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35)
InChIKeyNFWZCWJFWPWUFN-UHFFFAOYSA-N
XLogP6.97
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.09
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide (CID 11283475) is N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is NFWZCWJFWPWUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35).
What are the key properties of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide?
N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 503.09 g/mol, XLogP of 6.97, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 11283475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).