N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide

C21H20N2O4 — CID 125433213

IUPACN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(=O)[nH]c3ccccc13)CC2
InChIInChI=1S/C21H20N2O4/c1-26-18-9-12-7-8-17(14(12)10-19(18)27-2)23-21(25)15-11-20(24)22-16-6-4-3-5-13(15)16/h3-6,9-11,17H,7-8H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyZJWUVEWGGWYIHM-KRWDZBQOSA-N
MW364.40 g/mol
LogP2.96
Rot. Bonds4

About N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 125433213) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID125433213
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(=O)[nH]c3ccccc13)CC2
InChIInChI=1S/C21H20N2O4/c1-26-18-9-12-7-8-17(14(12)10-19(18)27-2)23-21(25)15-11-20(24)22-16-6-4-3-5-13(15)16/h3-6,9-11,17H,7-8H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyZJWUVEWGGWYIHM-KRWDZBQOSA-N
XLogP2.96
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 125433415
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 122714977
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 128962659
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 125433018
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide
CID 128963045
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
CID 125430344
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide
CID 125431301
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 72927897

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 125433213) is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide is COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(=O)[nH]c3ccccc13)CC2.
What is the InChIKey of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is ZJWUVEWGGWYIHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-26-18-9-12-7-8-17(14(12)10-19(18)27-2)23-21(25)15-11-20(24)22-16-6-4-3-5-13(15)16/h3-6,9-11,17H,7-8H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 125433213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).