N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide

C19H17FN2O5 — CID 54703015

IUPACN-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCc3ccccc3F)c(O)c2cc1OC
InChIInChI=1S/C19H17FN2O5/c1-26-14-7-11-13(8-15(14)27-2)22-19(25)16(17(11)23)18(24)21-9-10-5-3-4-6-12(10)20/h3-8H,9H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeySLMWYJRFTQLAJA-UHFFFAOYSA-N
MW372.35 g/mol
LogP2.32
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide

N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54703015) has the molecular formula C19H17FN2O5 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54703015
Molecular FormulaC19H17FN2O5
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC NameN-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCc3ccccc3F)c(O)c2cc1OC
InChIInChI=1S/C19H17FN2O5/c1-26-14-7-11-13(8-15(14)27-2)22-19(25)16(17(11)23)18(24)21-9-10-5-3-4-6-12(10)20/h3-8H,9H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeySLMWYJRFTQLAJA-UHFFFAOYSA-N
XLogP2.32
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682420
4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682415
butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium
CID 54675917
N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 54733002
4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 54675898
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide
CID 112992471
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate
CID 54732863
N-[(2-fluorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 75489414

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide (CID 54703015) is N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide is COc1cc2[nH]c(=O)c(C(=O)NCc3ccccc3F)c(O)c2cc1OC.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is SLMWYJRFTQLAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5/c1-26-14-7-11-13(8-15(14)27-2)22-19(25)16(17(11)23)18(24)21-9-10-5-3-4-6-12(10)20/h3-8H,9H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54703015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).