N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide

C18H13N3O2 — CID 66676193

IUPACN-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23)
InChIKeyXPRGZRFECLBYKZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.26
Rot. Bonds2

About N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide

N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 66676193) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID66676193
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23)
InChIKeyXPRGZRFECLBYKZ-UHFFFAOYSA-N
XLogP3.26
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 66676193) is N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide is O=C(Nc1ccc2cc[nH]c2c1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is XPRGZRFECLBYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23).
What are the key properties of N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66676193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).