N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide

C22H21N3O2 — CID 66675121

IUPACN-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)(C)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C22H21N3O2/c1-22(2,3)16-10-13-8-9-23-18(13)11-19(16)25-21(27)15-12-24-17-7-5-4-6-14(17)20(15)26/h4-12,23H,1-3H3,(H,24,26)(H,25,27)
InChIKeyQPRWKGNEIQULEK-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.56
Rot. Bonds2

About N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide

N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 66675121) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID66675121
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)(C)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C22H21N3O2/c1-22(2,3)16-10-13-8-9-23-18(13)11-19(16)25-21(27)15-12-24-17-7-5-4-6-14(17)20(15)26/h4-12,23H,1-3H3,(H,24,26)(H,25,27)
InChIKeyQPRWKGNEIQULEK-UHFFFAOYSA-N
XLogP4.56
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 66675121) is N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide is CC(C)(C)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is QPRWKGNEIQULEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-22(2,3)16-10-13-8-9-23-18(13)11-19(16)25-21(27)15-12-24-17-7-5-4-6-14(17)20(15)26/h4-12,23H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66675121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).