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

C23H23N3O2 — CID 53246179

IUPACN-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cccc2[nH]cc(C(=O)Nc3cc4[nH]ccc4cc3C(C)(C)C)c(=O)c12
InChIInChI=1S/C23H23N3O2/c1-13-6-5-7-17-20(13)21(27)15(12-25-17)22(28)26-19-11-18-14(8-9-24-18)10-16(19)23(2,3)4/h5-12,24H,1-4H3,(H,25,27)(H,26,28)
InChIKeyBPHCTXZMPKLRCG-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.87
Rot. Bonds2

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

N-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 53246179) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID53246179
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cccc2[nH]cc(C(=O)Nc3cc4[nH]ccc4cc3C(C)(C)C)c(=O)c12
InChIInChI=1S/C23H23N3O2/c1-13-6-5-7-17-20(13)21(27)15(12-25-17)22(28)26-19-11-18-14(8-9-24-18)10-16(19)23(2,3)4/h5-12,24H,1-4H3,(H,25,27)(H,26,28)
InChIKeyBPHCTXZMPKLRCG-UHFFFAOYSA-N
XLogP4.87
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 87461460
N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 53247257
2-[4-[(5-tert-butyl-4-oxo-1H-quinoline-3-carbonyl)amino]-2-hydroxyphenyl]-2-methylpropanoic acid
CID 87098910
N-[2-tert-butyl-5-hydroxy-4-(2-methylbutan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59544162
N-[2-tert-butyl-4-[diethyl(methyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138649676
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 59410073
2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
CID 43163357
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide
CID 139455131
[2-tert-butyl-4-fluoro-6-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate
CID 66675011

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide (CID 53246179) is N-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide is Cc1cccc2[nH]cc(C(=O)Nc3cc4[nH]ccc4cc3C(C)(C)C)c(=O)c12.
What is the InChIKey of N-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BPHCTXZMPKLRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-13-6-5-7-17-20(13)21(27)15(12-25-17)22(28)26-19-11-18-14(8-9-24-18)10-16(19)23(2,3)4/h5-12,24H,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide?
N-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.87, 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)-5-methyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 53246179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).