5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide

C23H24ClN3O3 — CID 143235852

IUPAC5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CC2CCCO2)C1=O)c1cc2c([nH]1)=CCC(Cl)C=2
InChIInChI=1S/C23H24ClN3O3/c24-16-7-8-18-15(10-16)12-19(25-18)22(28)26-20-11-14-4-1-2-6-21(14)27(23(20)29)13-17-5-3-9-30-17/h1-2,4,6,8,10,12,16-17,20,25H,3,5,7,9,11,13H2,(H,26,28)
InChIKeyRWYYSIMDSVGWIF-UHFFFAOYSA-N
MW425.92 g/mol
LogP1.45
Rot. Bonds4

About 5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide

5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide (PubChem CID 143235852) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide
PubChem CID143235852
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CC2CCCO2)C1=O)c1cc2c([nH]1)=CCC(Cl)C=2
InChIInChI=1S/C23H24ClN3O3/c24-16-7-8-18-15(10-16)12-19(25-18)22(28)26-20-11-14-4-1-2-6-21(14)27(23(20)29)13-17-5-3-9-30-17/h1-2,4,6,8,10,12,16-17,20,25H,3,5,7,9,11,13H2,(H,26,28)
InChIKeyRWYYSIMDSVGWIF-UHFFFAOYSA-N
XLogP1.45
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
CID 10289029
1-(oxan-2-ylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902946
1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566587
1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide
CID 95100034
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(2S)-oxolan-2-yl]methylsulfonyl]ethanone
CID 94048261
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]ethanone
CID 94048263
8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide
CID 124906961
2-[[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carbonyl]amino]benzoic acid
CID 1369615
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124578851
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide (CID 143235852) is 5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide is O=C(NC1Cc2ccccc2N(CC2CCCO2)C1=O)c1cc2c([nH]1)=CCC(Cl)C=2.
What is the InChIKey of 5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide?
The InChIKey is RWYYSIMDSVGWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c24-16-7-8-18-15(10-16)12-19(25-18)22(28)26-20-11-14-4-1-2-6-21(14)27(23(20)29)13-17-5-3-9-30-17/h1-2,4,6,8,10,12,16-17,20,25H,3,5,7,9,11,13H2,(H,26,28).
What are the key properties of 5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide?
5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydroquinolin-3-yl]-5,6-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 143235852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).