6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid

C18H15N3O3 — CID 155913018

IUPAC6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCN1CCc2cc(-c3ccc4[nH]c(=O)cc(C(=O)O)c4c3)cnc21
InChIInChI=1S/C18H15N3O3/c1-21-5-4-11-6-12(9-19-17(11)21)10-2-3-15-13(7-10)14(18(23)24)8-16(22)20-15/h2-3,6-9H,4-5H2,1H3,(H,20,22)(H,23,24)
InChIKeyQIHYRFJYVZAZNI-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.28
Rot. Bonds2

About 6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid

6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 155913018) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID155913018
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCN1CCc2cc(-c3ccc4[nH]c(=O)cc(C(=O)O)c4c3)cnc21
InChIInChI=1S/C18H15N3O3/c1-21-5-4-11-6-12(9-19-17(11)21)10-2-3-15-13(7-10)14(18(23)24)8-16(22)20-15/h2-3,6-9H,4-5H2,1H3,(H,20,22)(H,23,24)
InChIKeyQIHYRFJYVZAZNI-UHFFFAOYSA-N
XLogP2.28
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid with MolForge

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Related Compounds

2-[2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)phenyl]acetic acid
CID 155918492
N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide
CID 172661597
5-(6-methoxy-2-pyridinyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 155916821
[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-[6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]methanone
CID 172664204
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 167788830
1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 56861198
7-hydroxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115023788
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
CID 82540878
1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 82402350
N-methyl-2-[5-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide
CID 134592147
6-[5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305318

Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of 6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid (CID 155913018) is 6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid is CN1CCc2cc(-c3ccc4[nH]c(=O)cc(C(=O)O)c4c3)cnc21.
What is the InChIKey of 6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is QIHYRFJYVZAZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-21-5-4-11-6-12(9-19-17(11)21)10-2-3-15-13(7-10)14(18(23)24)8-16(22)20-15/h2-3,6-9H,4-5H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid?
6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid has a molecular weight of 321.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 155913018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).