1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate

C26H28N4O2 — CID 177380795

IUPAC1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate
SMILESO=C(NCCCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc2cc[nH]c2c1
InChIInChI=1S/C26H28N4O2/c31-26(32-19-12-11-18-13-16-27-24(18)17-19)29-15-6-5-14-28-25-20-7-1-3-9-22(20)30-23-10-4-2-8-21(23)25/h1,3,7,9,11-13,16-17,27H,2,4-6,8,10,14-15H2,(H,28,30)(H,29,31)
InChIKeyXMABALKLBVDHMN-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.58
Rot. Bonds7

About 1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate

1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate (PubChem CID 177380795) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate.

Molecular Properties

Compound Name1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate
PubChem CID177380795
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate
SMILESO=C(NCCCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc2cc[nH]c2c1
InChIInChI=1S/C26H28N4O2/c31-26(32-19-12-11-18-13-16-27-24(18)17-19)29-15-6-5-14-28-25-20-7-1-3-9-22(20)30-23-10-4-2-8-21(23)25/h1,3,7,9,11-13,16-17,27H,2,4-6,8,10,14-15H2,(H,28,30)(H,29,31)
InChIKeyXMABALKLBVDHMN-UHFFFAOYSA-N
XLogP5.58
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.58
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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Related Compounds

1H-indol-5-yl N-[10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]carbamate
CID 123912836
[3-(2-acetamidoethyl)-1H-indol-5-yl] N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate
CID 90654207
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]carbamate
CID 177380783
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
CID 24799949
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
[3-oxo-3-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylamino]propyl] nitrate
CID 24800295
[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl] N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]carbamate
CID 177380804
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
N-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041
[3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate
CID 123579665

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate?
The IUPAC name of 1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate (CID 177380795) is 1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate.
What is the SMILES notation for 1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate?
The canonical SMILES for 1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate is O=C(NCCCCNc1c2c(nc3ccccc13)CCCC2)Oc1ccc2cc[nH]c2c1.
What is the InChIKey of 1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate?
The InChIKey is XMABALKLBVDHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-26(32-19-12-11-18-13-16-27-24(18)17-19)29-15-6-5-14-28-25-20-7-1-3-9-22(20)30-23-10-4-2-8-21(23)25/h1,3,7,9,11-13,16-17,27H,2,4-6,8,10,14-15H2,(H,28,30)(H,29,31).
What are the key properties of 1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate?
1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate has a molecular weight of 428.54 g/mol, XLogP of 5.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate is sourced from PubChem (CID 177380795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).