2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C24H29N3 — CID 141304369

IUPAC2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESc1ccc(CN2CCc3c(c4ccccc4n3CCN3CCCC3)C2)cc1
InChIInChI=1S/C24H29N3/c1-2-8-20(9-3-1)18-26-15-12-24-22(19-26)21-10-4-5-11-23(21)27(24)17-16-25-13-6-7-14-25/h1-5,8-11H,6-7,12-19H2
InChIKeyKVQDSJVBRKBAEE-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.30
Rot. Bonds5

About 2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 141304369) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID141304369
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC Name2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESc1ccc(CN2CCc3c(c4ccccc4n3CCN3CCCC3)C2)cc1
InChIInChI=1S/C24H29N3/c1-2-8-20(9-3-1)18-26-15-12-24-22(19-26)21-10-4-5-11-23(21)27(24)17-16-25-13-6-7-14-25/h1-5,8-11H,6-7,12-19H2
InChIKeyKVQDSJVBRKBAEE-UHFFFAOYSA-N
XLogP4.30
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 141242885
ethyl 3-[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]propanoate
CID 71063711
sodium 2-[2-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetate
CID 140518361
N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine
CID 23470496
(E)-3-[2-benzyl-5-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-N-hydroxyprop-2-enamide
CID 141259100
2-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanamine
CID 166436443
(2S)-1-(4-benzylpiperazin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 2256274
1-(5-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
CID 42883294
(E)-3-[2-benzyl-5-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 141259099
4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide
CID 70800165
5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 126571284
1-benzylazepane
CID 10954328

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 141304369) is 2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is c1ccc(CN2CCc3c(c4ccccc4n3CCN3CCCC3)C2)cc1.
What is the InChIKey of 2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is KVQDSJVBRKBAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3/c1-2-8-20(9-3-1)18-26-15-12-24-22(19-26)21-10-4-5-11-23(21)27(24)17-16-25-13-6-7-14-25/h1-5,8-11H,6-7,12-19H2.
What are the key properties of 2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 359.52 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 141304369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).