N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide

C30H35ClN4O — CID 11272051

IUPACN-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12
InChIInChI=1S/C30H35ClN4O/c31-21-15-16-24-28(19-21)35-27-14-8-6-12-23(27)29(24)32-17-9-3-1-2-4-10-18-33-30(36)25-20-34-26-13-7-5-11-22(25)26/h5,7,11,13,15-16,19-20,34H,1-4,6,8-10,12,14,17-18H2,(H,32,35)(H,33,36)
InChIKeyNTWXQLUPCDPUOH-UHFFFAOYSA-N
MW503.09 g/mol
LogP7.43
Rot. Bonds11

About N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide

N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide (PubChem CID 11272051) has the molecular formula C30H35ClN4O and a molecular weight of 503.09 g/mol. Its IUPAC name is N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide
PubChem CID11272051
Molecular FormulaC30H35ClN4O
Molecular Weight503.09 g/mol
Exact Mass502.25
IUPAC NameN-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12
InChIInChI=1S/C30H35ClN4O/c31-21-15-16-24-28(19-21)35-27-14-8-6-12-23(27)29(24)32-17-9-3-1-2-4-10-18-33-30(36)25-20-34-26-13-7-5-11-22(25)26/h5,7,11,13,15-16,19-20,34H,1-4,6,8-10,12,14,17-18H2,(H,32,35)(H,33,36)
InChIKeyNTWXQLUPCDPUOH-UHFFFAOYSA-N
XLogP7.43
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 ≤ 57.43
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-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide (CID 11272051) is N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide is O=C(NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12.
What is the InChIKey of N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide?
The InChIKey is NTWXQLUPCDPUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O/c31-21-15-16-24-28(19-21)35-27-14-8-6-12-23(27)29(24)32-17-9-3-1-2-4-10-18-33-30(36)25-20-34-26-13-7-5-11-22(25)26/h5,7,11,13,15-16,19-20,34H,1-4,6,8-10,12,14,17-18H2,(H,32,35)(H,33,36).
What are the key properties of N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide?
N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide has a molecular weight of 503.09 g/mol, XLogP of 7.43, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 11272051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).