N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide

C21H21N3O3 — CID 166278666

IUPACN-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide
SMILESCC(NC(=O)CC1Cc2ccccc2NC1=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C21H21N3O3/c1-12(13-6-7-18-15(8-13)10-20(26)23-18)22-19(25)11-16-9-14-4-2-3-5-17(14)24-21(16)27/h2-8,12,16H,9-11H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyYYZJYWVYUWAHRY-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.56
Rot. Bonds4

About N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide

N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide (PubChem CID 166278666) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide
PubChem CID166278666
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide
SMILESCC(NC(=O)CC1Cc2ccccc2NC1=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C21H21N3O3/c1-12(13-6-7-18-15(8-13)10-20(26)23-18)22-19(25)11-16-9-14-4-2-3-5-17(14)24-21(16)27/h2-8,12,16H,9-11H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyYYZJYWVYUWAHRY-UHFFFAOYSA-N
XLogP2.56
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
CID 119736199
2-(2-oxo-1,3-dihydroindol-5-yl)-N-(1-phenylethyl)acetamide
CID 110768091
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328
N-[1-(furan-2-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142639
3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 145472008
2-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 102574709
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645544
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 71893219
N-[3-oxo-3-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propyl]furan-2-carboxamide
CID 47048455
2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide
CID 16615583
(2S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119359510

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide (CID 166278666) is N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide is CC(NC(=O)CC1Cc2ccccc2NC1=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide?
The InChIKey is YYZJYWVYUWAHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-12(13-6-7-18-15(8-13)10-20(26)23-18)22-19(25)11-16-9-14-4-2-3-5-17(14)24-21(16)27/h2-8,12,16H,9-11H2,1H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide?
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 166278666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).