N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one

C61H61F3N6O6 — CID 142301735

IUPACN-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one
SMILESCC1CC(=O)N(C)c2cc(F)ccc21.CN1C(=O)CC(C)(C(=O)NC2Cc3ccccc3C2)c2ccc(F)cc21.O=C1CC(C(=O)NC2Cc3ccccc3C2)c2ccc(F)cc2N1.O=CNC1Cc2ccccc2C1
InChIInChI=1S/C21H21FN2O2.C19H17FN2O2.C11H12FNO.C10H11NO/c1-21(12-19(25)24(2)18-11-15(22)7-8-17(18)21)20(26)23-16-9-13-5-3-4-6-14(13)10-16;20-13-5-6-15-16(10-18(23)22-17(15)9-13)19(24)21-14-7-11-3-1-2-4-12(11)8-14;1-7-5-11(14)13(2)10-6-8(12)3-4-9(7)10;12-7-11-10-5-8-3-1-2-4-9(8)6-10/h3-8,11,16H,9-10,12H2,1-2H3,(H,23,26);1-6,9,14,16H,7-8,10H2,(H,21,24)(H,22,23);3-4,6-7H,5H2,1-2H3;1-4,7,10H,5-6H2,(H,11,12)
InChIKeyGXYCRHORDFGMJB-UHFFFAOYSA-N
MW1031.19 g/mol
LogP8.46
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one

N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one (PubChem CID 142301735) has the molecular formula C61H61F3N6O6 and a molecular weight of 1031.19 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one
PubChem CID142301735
Molecular FormulaC61H61F3N6O6
Molecular Weight1031.19 g/mol
Exact Mass1030.46
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one
SMILESCC1CC(=O)N(C)c2cc(F)ccc21.CN1C(=O)CC(C)(C(=O)NC2Cc3ccccc3C2)c2ccc(F)cc21.O=C1CC(C(=O)NC2Cc3ccccc3C2)c2ccc(F)cc2N1.O=CNC1Cc2ccccc2C1
InChIInChI=1S/C21H21FN2O2.C19H17FN2O2.C11H12FNO.C10H11NO/c1-21(12-19(25)24(2)18-11-15(22)7-8-17(18)21)20(26)23-16-9-13-5-3-4-6-14(13)10-16;20-13-5-6-15-16(10-18(23)22-17(15)9-13)19(24)21-14-7-11-3-1-2-4-12(11)8-14;1-7-5-11(14)13(2)10-6-8(12)3-4-9(7)10;12-7-11-10-5-8-3-1-2-4-9(8)6-10/h3-8,11,16H,9-10,12H2,1-2H3,(H,23,26);1-6,9,14,16H,7-8,10H2,(H,21,24)(H,22,23);3-4,6-7H,5H2,1-2H3;1-4,7,10H,5-6H2,(H,11,12)
InChIKeyGXYCRHORDFGMJB-UHFFFAOYSA-N
XLogP8.46
TPSA157.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.19
LogP ≤ 58.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one (CID 142301735) is N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one is CC1CC(=O)N(C)c2cc(F)ccc21.CN1C(=O)CC(C)(C(=O)NC2Cc3ccccc3C2)c2ccc(F)cc21.O=C1CC(C(=O)NC2Cc3ccccc3C2)c2ccc(F)cc2N1.O=CNC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one?
The InChIKey is GXYCRHORDFGMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2.C19H17FN2O2.C11H12FNO.C10H11NO/c1-21(12-19(25)24(2)18-11-15(22)7-8-17(18)21)20(26)23-16-9-13-5-3-4-6-14(13)10-16;20-13-5-6-15-16(10-18(23)22-17(15)9-13)19(24)21-14-7-11-3-1-2-4-12(11)8-14;1-7-5-11(14)13(2)10-6-8(12)3-4-9(7)10;12-7-11-10-5-8-3-1-2-4-9(8)6-10/h3-8,11,16H,9-10,12H2,1-2H3,(H,23,26);1-6,9,14,16H,7-8,10H2,(H,21,24)(H,22,23);3-4,6-7H,5H2,1-2H3;1-4,7,10H,5-6H2,(H,11,12).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one?
N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one has a molecular weight of 1031.19 g/mol, XLogP of 8.46, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;N-(2,3-dihydro-1H-inden-2-yl)formamide;7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 142301735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).