[4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate

C22H21N3O4 — CID 23200342

IUPAC[4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate
SMILESCOC(=O)Oc1c(C)nc2c(c1N)c1ccccc1n2Cc1ccc(OC)cc1
InChIInChI=1S/C22H21N3O4/c1-13-20(29-22(26)28-3)19(23)18-16-6-4-5-7-17(16)25(21(18)24-13)12-14-8-10-15(27-2)11-9-14/h4-11H,12H2,1-3H3,(H2,23,24)
InChIKeyGJMGOHZLRJOVTL-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.28
Rot. Bonds4

About [4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate

[4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate (PubChem CID 23200342) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is [4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate.

Molecular Properties

Compound Name[4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate
PubChem CID23200342
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name[4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate
SMILESCOC(=O)Oc1c(C)nc2c(c1N)c1ccccc1n2Cc1ccc(OC)cc1
InChIInChI=1S/C22H21N3O4/c1-13-20(29-22(26)28-3)19(23)18-16-6-4-5-7-17(16)25(21(18)24-13)12-14-8-10-15(27-2)11-9-14/h4-11H,12H2,1-3H3,(H2,23,24)
InChIKeyGJMGOHZLRJOVTL-UHFFFAOYSA-N
XLogP4.28
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate
CID 86744180
1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
CID 166437920
1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
5-amino-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001654
5-hydrazinyl-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001666
N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide
CID 3342933
N-[[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4033495
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
1-[(4-chlorophenyl)methyl]-3-[[(4-methoxyphenyl)methylamino]methyl]indole-2-carboxylic acid
CID 53207253

Frequently Asked Questions

What is the IUPAC name of [4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate?
The IUPAC name of [4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate (CID 23200342) is [4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate.
What is the SMILES notation for [4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate?
The canonical SMILES for [4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate is COC(=O)Oc1c(C)nc2c(c1N)c1ccccc1n2Cc1ccc(OC)cc1.
What is the InChIKey of [4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate?
The InChIKey is GJMGOHZLRJOVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-13-20(29-22(26)28-3)19(23)18-16-6-4-5-7-17(16)25(21(18)24-13)12-14-8-10-15(27-2)11-9-14/h4-11H,12H2,1-3H3,(H2,23,24).
What are the key properties of [4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate?
[4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate has a molecular weight of 391.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indol-3-yl] methyl carbonate is sourced from PubChem (CID 23200342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).