8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid

C20H18N2O2 — CID 122181009

IUPAC8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid
SMILESCC(C)(C)c1ccc2[nH]c3c4ccccc4nc(C(=O)O)c3c2c1
InChIInChI=1S/C20H18N2O2/c1-20(2,3)11-8-9-15-13(10-11)16-17(21-15)12-6-4-5-7-14(12)22-18(16)19(23)24/h4-10,21H,1-3H3,(H,23,24)
InChIKeyADEPEJRBGJHFFA-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.86
Rot. Bonds1

About 8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid

8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid (PubChem CID 122181009) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid
PubChem CID122181009
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid
SMILESCC(C)(C)c1ccc2[nH]c3c4ccccc4nc(C(=O)O)c3c2c1
InChIInChI=1S/C20H18N2O2/c1-20(2,3)11-8-9-15-13(10-11)16-17(21-15)12-6-4-5-7-14(12)22-18(16)19(23)24/h4-10,21H,1-3H3,(H,23,24)
InChIKeyADEPEJRBGJHFFA-UHFFFAOYSA-N
XLogP4.86
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1H-indole-2-carboxylic acid
CID 259188
Harman-3-Carboxylic Acid
CID 5406157
9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-acetyl-
CID 5488588
2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 729801
3-methyl-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 2791194
3H-Benzo[e]indole-2-carboxylic acid
CID 354966
3-(carboxymethyl)-1H-indole-2-carboxylic acid
CID 672547
3-Methyl-1H-indole-2-carboxylic acid
CID 2752638
10-Iodo-11h-Indolo[3,2-C]quinoline-6-Carboxylic Acid
CID 91664021
5-Phenyl-1h-indole-2-carboxylic acid
CID 12404982
3-(2-Carboxyindol-3-yl)propionic acid
CID 169313
5H-Pyrido(4,3-b)indole-8-carboxylic acid, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride
CID 218281

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
The IUPAC name of 8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid (CID 122181009) is 8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid.
What is the SMILES notation for 8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
The canonical SMILES for 8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid is CC(C)(C)c1ccc2[nH]c3c4ccccc4nc(C(=O)O)c3c2c1.
What is the InChIKey of 8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
The InChIKey is ADEPEJRBGJHFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-20(2,3)11-8-9-15-13(10-11)16-17(21-15)12-6-4-5-7-14(12)22-18(16)19(23)24/h4-10,21H,1-3H3,(H,23,24).
What are the key properties of 8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 4.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid is sourced from PubChem (CID 122181009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).