methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate

C15H16N2O3 — CID 59086102

IUPACmethyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate
SMILESCCn1c2c(c3c(C(=O)OC)cccc31)C(=O)NCC2
InChIInChI=1S/C15H16N2O3/c1-3-17-10-6-4-5-9(15(19)20-2)12(10)13-11(17)7-8-16-14(13)18/h4-6H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyCFAXGBOUGNATRC-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.73
Rot. Bonds2

About methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate

methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate (PubChem CID 59086102) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate
PubChem CID59086102
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate
SMILESCCn1c2c(c3c(C(=O)OC)cccc31)C(=O)NCC2
InChIInChI=1S/C15H16N2O3/c1-3-17-10-6-4-5-9(15(19)20-2)12(10)13-11(17)7-8-16-14(13)18/h4-6H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyCFAXGBOUGNATRC-UHFFFAOYSA-N
XLogP1.73
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22738604
methyl 9-[(2-bromophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22740051
methyl 2-[(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl)methyl]benzoate
CID 153327251
methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate
CID 142731581
methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22738500
methyl 9-benzyl-5-oxo-7-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-carbazole-4-carboxylate
CID 142637479
methyl 3-ethyl-2-oxo-1,3-benzoxazole-4-carboxylate
CID 58297706
methyl 3-amino-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzoate
CID 115935974
methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22741387
methyl 9-[(2-cyanophenyl)methyl]-5-oxo-7-pentyl-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22740022
ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate
CID 144721750
methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate
CID 151899237

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate?
The IUPAC name of methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate (CID 59086102) is methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate.
What is the SMILES notation for methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate?
The canonical SMILES for methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate is CCn1c2c(c3c(C(=O)OC)cccc31)C(=O)NCC2.
What is the InChIKey of methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate?
The InChIKey is CFAXGBOUGNATRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-17-10-6-4-5-9(15(19)20-2)12(10)13-11(17)7-8-16-14(13)18/h4-6H,3,7-8H2,1-2H3,(H,16,18).
What are the key properties of methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate?
methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate is sourced from PubChem (CID 59086102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).