N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide

C29H33ClN4O — CID 11167725

IUPACN-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-5-3-9-23(26)29(24)32-17-7-1-6-16-31-28(35)15-12-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,13-14,18-19,33H,1,3,5-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
InChIKeyMZIDLDQPPBIKHJ-UHFFFAOYSA-N
MW489.06 g/mol
LogP6.58
Rot. Bonds10

About N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide

N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 11167725) has the molecular formula C29H33ClN4O and a molecular weight of 489.06 g/mol. Its IUPAC name is N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide
PubChem CID11167725
Molecular FormulaC29H33ClN4O
Molecular Weight489.06 g/mol
Exact Mass488.23
IUPAC NameN-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-5-3-9-23(26)29(24)32-17-7-1-6-16-31-28(35)15-12-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,13-14,18-19,33H,1,3,5-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
InChIKeyMZIDLDQPPBIKHJ-UHFFFAOYSA-N
XLogP6.58
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.06
LogP ≤ 56.58
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-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide (CID 11167725) is N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is MZIDLDQPPBIKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-5-3-9-23(26)29(24)32-17-7-1-6-16-31-28(35)15-12-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,13-14,18-19,33H,1,3,5-7,9,11-12,15-17H2,(H,31,35)(H,32,34).
What are the key properties of N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide?
N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 489.06 g/mol, XLogP of 6.58, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 11167725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).