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

C21H20N2O5 — CID 125433415

IUPACN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)c1c(O)c3ccccc3[nH]c1=O)CC2
InChIInChI=1S/C21H20N2O5/c1-27-16-9-11-7-8-15(13(11)10-17(16)28-2)23-21(26)18-19(24)12-5-3-4-6-14(12)22-20(18)25/h3-6,9-10,15H,7-8H2,1-2H3,(H,23,26)(H2,22,24,25)/t15-/m0/s1
InChIKeySBALISXWHGMRIS-HNNXBMFYSA-N
MW380.40 g/mol
LogP2.67
Rot. Bonds4

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

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 125433415) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID125433415
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)c1c(O)c3ccccc3[nH]c1=O)CC2
InChIInChI=1S/C21H20N2O5/c1-27-16-9-11-7-8-15(13(11)10-17(16)28-2)23-21(26)18-19(24)12-5-3-4-6-14(12)22-20(18)25/h3-6,9-10,15H,7-8H2,1-2H3,(H,23,26)(H2,22,24,25)/t15-/m0/s1
InChIKeySBALISXWHGMRIS-HNNXBMFYSA-N
XLogP2.67
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 125433213
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-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 125433018
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
CID 125430344
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-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137192277
2-hydroxy-6-methoxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581888
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 125431572
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 125431006

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 125433415) is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is COc1cc2c(cc1OC)[C@@H](NC(=O)c1c(O)c3ccccc3[nH]c1=O)CC2.
What is the InChIKey of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is SBALISXWHGMRIS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-27-16-9-11-7-8-15(13(11)10-17(16)28-2)23-21(26)18-19(24)12-5-3-4-6-14(12)22-20(18)25/h3-6,9-10,15H,7-8H2,1-2H3,(H,23,26)(H2,22,24,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 125433415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).