[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate

C20H17N3O4 — CID 175035016

IUPAC[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate
SMILESCOc1ccc(-c2nc(OC(N)=O)cc3c2[nH]c2ccccc23)cc1OC
InChIInChI=1S/C20H17N3O4/c1-25-15-8-7-11(9-16(15)26-2)18-19-13(10-17(23-18)27-20(21)24)12-5-3-4-6-14(12)22-19/h3-10,22H,1-2H3,(H2,21,24)
InChIKeyZEEFOEVLQSJMQG-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.86
Rot. Bonds4

About [1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate

[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate (PubChem CID 175035016) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is [1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate.

Molecular Properties

Compound Name[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate
PubChem CID175035016
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate
SMILESCOc1ccc(-c2nc(OC(N)=O)cc3c2[nH]c2ccccc23)cc1OC
InChIInChI=1S/C20H17N3O4/c1-25-15-8-7-11(9-16(15)26-2)18-19-13(10-17(23-18)27-20(21)24)12-5-3-4-6-14(12)22-19/h3-10,22H,1-2H3,(H2,21,24)
InChIKeyZEEFOEVLQSJMQG-UHFFFAOYSA-N
XLogP3.86
TPSA99.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 50923214
4-[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-2-methyl-4-oxobutanoic acid
CID 159018259
1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 141298361
1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 71528865
methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate
CID 150364727
4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride
CID 6602977
methyl 1-(4-formylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 141454158
N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone
CID 158330800
(E)-N-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
CID 137243907
N-[(E)-cyclopentylmethylideneamino]-1-(3-hydroxy-4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 57395669
3-(6-methoxy-1H-benzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole
CID 155806851
1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 57392198

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate?
The IUPAC name of [1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate (CID 175035016) is [1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate.
What is the SMILES notation for [1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate?
The canonical SMILES for [1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate is COc1ccc(-c2nc(OC(N)=O)cc3c2[nH]c2ccccc23)cc1OC.
What is the InChIKey of [1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate?
The InChIKey is ZEEFOEVLQSJMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-25-15-8-7-11(9-16(15)26-2)18-19-13(10-17(23-18)27-20(21)24)12-5-3-4-6-14(12)22-19/h3-10,22H,1-2H3,(H2,21,24).
What are the key properties of [1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate?
[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate has a molecular weight of 363.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl] carbamate is sourced from PubChem (CID 175035016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).