2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide

C22H16BrN3O3 — CID 18729539

IUPAC2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide
SMILESO=C(NC1CCOC1=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccccc12
InChIInChI=1S/C22H16BrN3O3/c23-12-5-6-17-14(9-12)16(11-24-17)20-10-15(13-3-1-2-4-18(13)25-20)21(27)26-19-7-8-29-22(19)28/h1-6,9-11,19,24H,7-8H2,(H,26,27)
InChIKeyAQQIXSBFCAFJQH-UHFFFAOYSA-N
MW450.29 g/mol
LogP4.19
Rot. Bonds3

About 2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide

2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide (PubChem CID 18729539) has the molecular formula C22H16BrN3O3 and a molecular weight of 450.29 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide
PubChem CID18729539
Molecular FormulaC22H16BrN3O3
Molecular Weight450.29 g/mol
Exact Mass449.04
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide
SMILESO=C(NC1CCOC1=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccccc12
InChIInChI=1S/C22H16BrN3O3/c23-12-5-6-17-14(9-12)16(11-24-17)20-10-15(13-3-1-2-4-18(13)25-20)21(27)26-19-7-8-29-22(19)28/h1-6,9-11,19,24H,7-8H2,(H,26,27)
InChIKeyAQQIXSBFCAFJQH-UHFFFAOYSA-N
XLogP4.19
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.29
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide with MolForge

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Related Compounds

Phenyl-{[2-(1H-pyrrol-3-yl)-quinoline-4-carbonyl]-amino}-acetic acid methyl ester
CID 10833965
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide
CID 11245659
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-2-carboxamide
CID 11394601
5-bromo-2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72704299
2-(2-Bromo-benzoylamino)-3-(1H-indol-3-yl)-propionic acid ethyl ester
CID 2793363
6-bromo-2-(pyridin-4-yl)-N-[1-(tetrahydrofuran-2-yl)ethyl]quinoline-4-carboxamide
CID 2965662
ethyl (2S)-2-[[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propanoate
CID 14541491
ethyl 2-[[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 44365209
6-bromo-N-(2-methoxyethyl)-2-(3-pyridinyl)-4-quinolinecarboxamide
CID 2221285
methyl 2-[(5-bromopyridine-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2728150
methyl 2-[(2-bromobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2787194
6-bromo-2-(pyridin-3-yl)-N-[1-(tetrahydrofuran-2-yl)ethyl]quinoline-4-carboxamide
CID 2965680

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide (CID 18729539) is 2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide is O=C(NC1CCOC1=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccccc12.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide?
The InChIKey is AQQIXSBFCAFJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O3/c23-12-5-6-17-14(9-12)16(11-24-17)20-10-15(13-3-1-2-4-18(13)25-20)21(27)26-19-7-8-29-22(19)28/h1-6,9-11,19,24H,7-8H2,(H,26,27).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide?
2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide has a molecular weight of 450.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-N-(2-oxooxolan-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 18729539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).