benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate

C26H26N2O2 — CID 11003857

IUPACbenzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate
SMILESCc1c2c(c(C)c3c1c1ccccc1n3C)CCN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C26H26N2O2/c1-17-22-15-28(26(29)30-16-19-9-5-4-6-10-19)14-13-20(22)18(2)25-24(17)21-11-7-8-12-23(21)27(25)3/h4-12H,13-16H2,1-3H3
InChIKeyLDWVODZOGSJMEA-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.64
Rot. Bonds2

About benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate

benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate (PubChem CID 11003857) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate.

Molecular Properties

Compound Namebenzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate
PubChem CID11003857
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Namebenzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate
SMILESCc1c2c(c(C)c3c1c1ccccc1n3C)CCN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C26H26N2O2/c1-17-22-15-28(26(29)30-16-19-9-5-4-6-10-19)14-13-20(22)18(2)25-24(17)21-11-7-8-12-23(21)27(25)3/h4-12H,13-16H2,1-3H3
InChIKeyLDWVODZOGSJMEA-UHFFFAOYSA-N
XLogP5.64
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

benzyl 6-formyl-5,8-dimethyl-7-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 129187791
2-(2-phenylmethoxycarbonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid
CID 11501456
benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
4-(3-methyl-5-phenylmethoxycarbonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
CID 70916323
benzyl 3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate
CID 101463739
benzyl 5-fluoro-4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 167735422
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 2-(4-methoxycarbonylphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 143944128
benzyl 6-bromo-5-(2-oxobutyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 163751186
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 11-methyl-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene-5-carboxylate
CID 12051610

Frequently Asked Questions

What is the IUPAC name of benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate?
The IUPAC name of benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate (CID 11003857) is benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate.
What is the SMILES notation for benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate?
The canonical SMILES for benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate is Cc1c2c(c(C)c3c1c1ccccc1n3C)CCN(C(=O)OCc1ccccc1)C2.
What is the InChIKey of benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate?
The InChIKey is LDWVODZOGSJMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-17-22-15-28(26(29)30-16-19-9-5-4-6-10-19)14-13-20(22)18(2)25-24(17)21-11-7-8-12-23(21)27(25)3/h4-12H,13-16H2,1-3H3.
What are the key properties of benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate?
benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate has a molecular weight of 398.51 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5,6,11-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]carbazole-2-carboxylate is sourced from PubChem (CID 11003857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).