N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide

C30H35ClN4O — CID 11168014

IUPACN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c2ccccc21
InChIInChI=1S/C30H35ClN4O/c1-35-20-25(22-11-6-8-14-28(22)35)30(36)33-18-10-4-2-3-9-17-32-29-23-12-5-7-13-26(23)34-27-19-21(31)15-16-24(27)29/h6,8,11,14-16,19-20H,2-5,7,9-10,12-13,17-18H2,1H3,(H,32,34)(H,33,36)
InChIKeyXLZKWRHITDAXOX-UHFFFAOYSA-N
MW503.09 g/mol
LogP7.05
Rot. Bonds10

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

N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide (PubChem CID 11168014) 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]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide
PubChem CID11168014
Molecular FormulaC30H35ClN4O
Molecular Weight503.09 g/mol
Exact Mass502.25
IUPAC NameN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c2ccccc21
InChIInChI=1S/C30H35ClN4O/c1-35-20-25(22-11-6-8-14-28(22)35)30(36)33-18-10-4-2-3-9-17-32-29-23-12-5-7-13-26(23)34-27-19-21(31)15-16-24(27)29/h6,8,11,14-16,19-20H,2-5,7,9-10,12-13,17-18H2,1H3,(H,32,34)(H,33,36)
InChIKeyXLZKWRHITDAXOX-UHFFFAOYSA-N
XLogP7.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.09
LogP ≤ 57.05
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-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide (CID 11168014) is N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)NCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c2ccccc21.
What is the InChIKey of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide?
The InChIKey is XLZKWRHITDAXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O/c1-35-20-25(22-11-6-8-14-28(22)35)30(36)33-18-10-4-2-3-9-17-32-29-23-12-5-7-13-26(23)34-27-19-21(31)15-16-24(27)29/h6,8,11,14-16,19-20H,2-5,7,9-10,12-13,17-18H2,1H3,(H,32,34)(H,33,36).
What are the key properties of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide?
N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1-methylindole-3-carboxamide has a molecular weight of 503.09 g/mol, XLogP of 7.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 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]-1-methylindole-3-carboxamide is sourced from PubChem (CID 11168014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).