methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate

C22H20N2O4 — CID 127026905

IUPACmethyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)c1ccccc1n2Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C22H20N2O4/c1-26-16-8-14(9-17(11-16)27-2)13-24-20-7-5-4-6-18(20)19-10-15(22(25)28-3)12-23-21(19)24/h4-12H,13H2,1-3H3
InChIKeyBQVBAMDPSGXQKE-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.04
Rot. Bonds5

About methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate

methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate (PubChem CID 127026905) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate
PubChem CID127026905
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Namemethyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)c1ccccc1n2Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C22H20N2O4/c1-26-16-8-14(9-17(11-16)27-2)13-24-20-7-5-4-6-18(20)19-10-15(22(25)28-3)12-23-21(19)24/h4-12H,13H2,1-3H3
InChIKeyBQVBAMDPSGXQKE-UHFFFAOYSA-N
XLogP4.04
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)benzoate
CID 11669227
[1-Methyl-2-(1-methyl-1H-indol-3-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
CID 66561352
N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
CID 146271566
[2-Amino-3-(2,6-dimethoxybenzenecarbothioyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone
CID 44397301
[6-Methoxy-1-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45266998
6-Acetyl-9-(3,4,5-trimethoxybenzyl)-9h-pyrido [2,3-b]indole
CID 46941176
Methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299377
[9-[(3,5-Dimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
CID 127026625
[9-[(3,4,5-Trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
CID 127026626
Methyl 9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate
CID 127026906
Methyl 1-(3,5-dimethoxybenzoyl)indole-3-carboxylate
CID 702926
3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-benzoic acid
CID 44335457

Frequently Asked Questions

What is the IUPAC name of methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate?
The IUPAC name of methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate (CID 127026905) is methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate.
What is the SMILES notation for methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate?
The canonical SMILES for methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate is COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate?
The InChIKey is BQVBAMDPSGXQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-26-16-8-14(9-17(11-16)27-2)13-24-20-7-5-4-6-18(20)19-10-15(22(25)28-3)12-23-21(19)24/h4-12H,13H2,1-3H3.
What are the key properties of methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate?
methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]indole-3-carboxylate is sourced from PubChem (CID 127026905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).