N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide

C34H43ClN4O — CID 11753295

IUPACN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C34H43ClN4O/c35-26-18-19-29-32(23-26)39-31-16-10-8-14-28(31)34(29)37-22-12-6-4-2-1-3-5-11-21-36-33(40)20-17-25-24-38-30-15-9-7-13-27(25)30/h7,9,13,15,18-19,23-24,38H,1-6,8,10-12,14,16-17,20-22H2,(H,36,40)(H,37,39)
InChIKeyMBPKTUUBOVNOPG-UHFFFAOYSA-N
MW559.20 g/mol
LogP8.53
Rot. Bonds15

About N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide

N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 11753295) has the molecular formula C34H43ClN4O and a molecular weight of 559.20 g/mol. Its IUPAC name is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide
PubChem CID11753295
Molecular FormulaC34H43ClN4O
Molecular Weight559.20 g/mol
Exact Mass558.31
IUPAC NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C34H43ClN4O/c35-26-18-19-29-32(23-26)39-31-16-10-8-14-28(31)34(29)37-22-12-6-4-2-1-3-5-11-21-36-33(40)20-17-25-24-38-30-15-9-7-13-27(25)30/h7,9,13,15,18-19,23-24,38H,1-6,8,10-12,14,16-17,20-22H2,(H,36,40)(H,37,39)
InChIKeyMBPKTUUBOVNOPG-UHFFFAOYSA-N
XLogP8.53
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.20
LogP ≤ 58.53
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-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide (CID 11753295) is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is MBPKTUUBOVNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43ClN4O/c35-26-18-19-29-32(23-26)39-31-16-10-8-14-28(31)34(29)37-22-12-6-4-2-1-3-5-11-21-36-33(40)20-17-25-24-38-30-15-9-7-13-27(25)30/h7,9,13,15,18-19,23-24,38H,1-6,8,10-12,14,16-17,20-22H2,(H,36,40)(H,37,39).
What are the key properties of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide?
N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 559.20 g/mol, XLogP of 8.53, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 11753295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).