1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide

C33H37N5O — CID 118717405

IUPAC1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCc1nc(C(=O)NCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc2c1[nH]c1ccccc12
InChIInChI=1S/C33H37N5O/c1-2-26-32-25(22-13-5-8-16-27(22)38-32)21-30(36-26)33(39)35-20-12-4-3-11-19-34-31-23-14-6-9-17-28(23)37-29-18-10-7-15-24(29)31/h5-6,8-9,13-14,16-17,21,38H,2-4,7,10-12,15,18-20H2,1H3,(H,34,37)(H,35,39)
InChIKeyWUZJRHKAIFSDMM-UHFFFAOYSA-N
MW519.69 g/mol
LogP7.11
Rot. Bonds10

About 1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide

1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 118717405) has the molecular formula C33H37N5O and a molecular weight of 519.69 g/mol. Its IUPAC name is 1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID118717405
Molecular FormulaC33H37N5O
Molecular Weight519.69 g/mol
Exact Mass519.30
IUPAC Name1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCc1nc(C(=O)NCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc2c1[nH]c1ccccc12
InChIInChI=1S/C33H37N5O/c1-2-26-32-25(22-13-5-8-16-27(22)38-32)21-30(36-26)33(39)35-20-12-4-3-11-19-34-31-23-14-6-9-17-28(23)37-29-18-10-7-15-24(29)31/h5-6,8-9,13-14,16-17,21,38H,2-4,7,10-12,15,18-20H2,1H3,(H,34,37)(H,35,39)
InChIKeyWUZJRHKAIFSDMM-UHFFFAOYSA-N
XLogP7.11
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 57.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 118717407
1-phenyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 118717426
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
CID 24799949
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 53361168
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
2-(2,3-dimethylanilino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide
CID 90667505
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 122185533
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide (CID 118717405) is 1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide is CCc1nc(C(=O)NCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is WUZJRHKAIFSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O/c1-2-26-32-25(22-13-5-8-16-27(22)38-32)21-30(36-26)33(39)35-20-12-4-3-11-19-34-31-23-14-6-9-17-28(23)37-29-18-10-7-15-24(29)31/h5-6,8-9,13-14,16-17,21,38H,2-4,7,10-12,15,18-20H2,1H3,(H,34,37)(H,35,39).
What are the key properties of 1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 519.69 g/mol, XLogP of 7.11, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 118717405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).