2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

C14H16N2O2 — CID 43866445

IUPAC2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCN1Cc2c(c3ccccc3n2C)CC1C(=O)O
InChIInChI=1S/C14H16N2O2/c1-15-8-13-10(7-12(15)14(17)18)9-5-3-4-6-11(9)16(13)2/h3-6,12H,7-8H2,1-2H3,(H,17,18)
InChIKeyNVPHFXATHZUEQQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.62
Rot. Bonds1

About 2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 43866445) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID43866445
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCN1Cc2c(c3ccccc3n2C)CC1C(=O)O
InChIInChI=1S/C14H16N2O2/c1-15-8-13-10(7-12(15)14(17)18)9-5-3-4-6-11(9)16(13)2/h3-6,12H,7-8H2,1-2H3,(H,17,18)
InChIKeyNVPHFXATHZUEQQ-UHFFFAOYSA-N
XLogP1.62
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613056
ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
CID 145187913
methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613051
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide
CID 113096664
2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one
CID 12884007
2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one
CID 113089930
(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 140999060
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide
CID 113096632
3-amino-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 117110603
4-[[3-[ethyl(2-oxoethyl)carbamoyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzoic acid
CID 166835376
(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 129405918
2,6-dimethyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 170405716

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CID 43866445) is 2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is CN1Cc2c(c3ccccc3n2C)CC1C(=O)O.
What is the InChIKey of 2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is NVPHFXATHZUEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-8-13-10(7-12(15)14(17)18)9-5-3-4-6-11(9)16(13)2/h3-6,12H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 43866445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).