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

C20H15N3O3 — CID 66674873

IUPACN-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(=O)n1ccc2ccc(NC(=O)c3c[nH]c4ccccc4c3=O)cc21
InChIInChI=1S/C20H15N3O3/c1-12(24)23-9-8-13-6-7-14(10-18(13)23)22-20(26)16-11-21-17-5-3-2-4-15(17)19(16)25/h2-11H,1H3,(H,21,25)(H,22,26)
InChIKeyZHEGSIUDQIUPPU-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.40
Rot. Bonds2

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

N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 66674873) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID66674873
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(=O)n1ccc2ccc(NC(=O)c3c[nH]c4ccccc4c3=O)cc21
InChIInChI=1S/C20H15N3O3/c1-12(24)23-9-8-13-6-7-14(10-18(13)23)22-20(26)16-11-21-17-5-3-2-4-15(17)19(16)25/h2-11H,1H3,(H,21,25)(H,22,26)
InChIKeyZHEGSIUDQIUPPU-UHFFFAOYSA-N
XLogP3.40
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dichloromethane;N-[1-[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 91538711
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 66676066
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 60543842
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
1H-indole-3-carbaldehyde;1-indol-1-ylethanone;1-(1H-indol-3-yl)ethanone
CID 174483590
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
CID 39893097
N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 127254353
[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid
CID 126736396
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 66674873) is N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide is CC(=O)n1ccc2ccc(NC(=O)c3c[nH]c4ccccc4c3=O)cc21.
What is the InChIKey of N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZHEGSIUDQIUPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-12(24)23-9-8-13-6-7-14(10-18(13)23)22-20(26)16-11-21-17-5-3-2-4-15(17)19(16)25/h2-11H,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66674873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).