8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid

C23H21N3O3 — CID 16730107

IUPAC8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc3[nH]c4c5ccccc5nc(C(=O)O)c4c3c2)CC1
InChIInChI=1S/C23H21N3O3/c1-13-8-10-26(11-9-13)22(27)14-6-7-18-16(12-14)19-20(24-18)15-4-2-3-5-17(15)25-21(19)23(28)29/h2-7,12-13,24H,8-11H2,1H3,(H,28,29)
InChIKeyXHVUGFHXLKCVRB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.44
Rot. Bonds2

About 8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid

8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid (PubChem CID 16730107) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid
PubChem CID16730107
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc3[nH]c4c5ccccc5nc(C(=O)O)c4c3c2)CC1
InChIInChI=1S/C23H21N3O3/c1-13-8-10-26(11-9-13)22(27)14-6-7-18-16(12-14)19-20(24-18)15-4-2-3-5-17(15)25-21(19)23(28)29/h2-7,12-13,24H,8-11H2,1H3,(H,28,29)
InChIKeyXHVUGFHXLKCVRB-UHFFFAOYSA-N
XLogP4.44
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
The IUPAC name of 8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid (CID 16730107) is 8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid.
What is the SMILES notation for 8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
The canonical SMILES for 8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid is CC1CCN(C(=O)c2ccc3[nH]c4c5ccccc5nc(C(=O)O)c4c3c2)CC1.
What is the InChIKey of 8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
The InChIKey is XHVUGFHXLKCVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-13-8-10-26(11-9-13)22(27)14-6-7-18-16(12-14)19-20(24-18)15-4-2-3-5-17(15)25-21(19)23(28)29/h2-7,12-13,24H,8-11H2,1H3,(H,28,29).
What are the key properties of 8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperidine-1-carbonyl)-11H-indolo[3,2-c]quinoline-6-carboxylic acid is sourced from PubChem (CID 16730107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).