4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]

C23H26N2O2 — CID 4851787

IUPAC4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
SMILESCOc1cccc(C2CNC3(CCCC3)c3[nH]c4ccccc4c32)c1OC
InChIInChI=1S/C23H26N2O2/c1-26-19-11-7-9-15(21(19)27-2)17-14-24-23(12-5-6-13-23)22-20(17)16-8-3-4-10-18(16)25-22/h3-4,7-11,17,24-25H,5-6,12-14H2,1-2H3
InChIKeyWEOGMGPWXZEBBC-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.69
Rot. Bonds3

About 4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]

4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane] (PubChem CID 4851787) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane].

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
PubChem CID4851787
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
SMILESCOc1cccc(C2CNC3(CCCC3)c3[nH]c4ccccc4c32)c1OC
InChIInChI=1S/C23H26N2O2/c1-26-19-11-7-9-15(21(19)27-2)17-14-24-23(12-5-6-13-23)22-20(17)16-8-3-4-10-18(16)25-22/h3-4,7-11,17,24-25H,5-6,12-14H2,1-2H3
InChIKeyWEOGMGPWXZEBBC-UHFFFAOYSA-N
XLogP4.69
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane] with MolForge

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Related Compounds

(3S,4'R)-4'-(2,3-dimethoxyphenyl)spiro[1,2-dihydroindene-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]
CID 8001502
(6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
CID 2405385
(1S,3S)-1-(2,3-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 1070592
4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3433325
(1S,4S)-5',5'-dimethyl-4-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-cyclohexane]-1'-one
CID 2554408
6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83822143
(2S,8S)-8-(2-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione
CID 40824453
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 10083666
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
(2S,8R)-8-(2-methoxyphenyl)-2-methyl-4-phenyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione
CID 6574878
2-benzylsulfanyl-5-(2,3-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135477055
tert-butyl (3S,4S)-4-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylate
CID 102369935

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]?
The IUPAC name of 4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane] (CID 4851787) is 4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane].
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane] is COc1cccc(C2CNC3(CCCC3)c3[nH]c4ccccc4c32)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]?
The InChIKey is WEOGMGPWXZEBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-26-19-11-7-9-15(21(19)27-2)17-14-24-23(12-5-6-13-23)22-20(17)16-8-3-4-10-18(16)25-22/h3-4,7-11,17,24-25H,5-6,12-14H2,1-2H3.
What are the key properties of 4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]?
4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane] has a molecular weight of 362.47 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane] is sourced from PubChem (CID 4851787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).