1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate

C32H39ClN4O2 — CID 123912836

IUPAC1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate
SMILESO=C(NCCCCCCCCCCNc1c2c(nc3ccc(Cl)cc13)CCCC2)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C32H39ClN4O2/c33-24-13-15-30-27(22-24)31(26-11-7-8-12-29(26)37-30)35-18-9-5-3-1-2-4-6-10-19-36-32(38)39-25-14-16-28-23(21-25)17-20-34-28/h13-17,20-22,34H,1-12,18-19H2,(H,35,37)(H,36,38)
InChIKeyYKEZUUBQRQGAGI-UHFFFAOYSA-N
MW547.14 g/mol
LogP8.57
Rot. Bonds13

About 1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate

1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate (PubChem CID 123912836) has the molecular formula C32H39ClN4O2 and a molecular weight of 547.14 g/mol. Its IUPAC name is 1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate.

Molecular Properties

Compound Name1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate
PubChem CID123912836
Molecular FormulaC32H39ClN4O2
Molecular Weight547.14 g/mol
Exact Mass546.28
IUPAC Name1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate
SMILESO=C(NCCCCCCCCCCNc1c2c(nc3ccc(Cl)cc13)CCCC2)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C32H39ClN4O2/c33-24-13-15-30-27(22-24)31(26-11-7-8-12-29(26)37-30)35-18-9-5-3-1-2-4-6-10-19-36-32(38)39-25-14-16-28-23(21-25)17-20-34-28/h13-17,20-22,34H,1-12,18-19H2,(H,35,37)(H,36,38)
InChIKeyYKEZUUBQRQGAGI-UHFFFAOYSA-N
XLogP8.57
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.14
LogP ≤ 58.57
H-Bond Donors ≤ 53
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 1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate?
The IUPAC name of 1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate (CID 123912836) is 1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate.
What is the SMILES notation for 1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate?
The canonical SMILES for 1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate is O=C(NCCCCCCCCCCNc1c2c(nc3ccc(Cl)cc13)CCCC2)Oc1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate?
The InChIKey is YKEZUUBQRQGAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39ClN4O2/c33-24-13-15-30-27(22-24)31(26-11-7-8-12-29(26)37-30)35-18-9-5-3-1-2-4-6-10-19-36-32(38)39-25-14-16-28-23(21-25)17-20-34-28/h13-17,20-22,34H,1-12,18-19H2,(H,35,37)(H,36,38).
What are the key properties of 1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate?
1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate has a molecular weight of 547.14 g/mol, XLogP of 8.57, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate is sourced from PubChem (CID 123912836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).