7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide

C22H18FN3O4 — CID 71565669

IUPAC7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)c(F)c1
InChIInChI=1S/C22H18FN3O4/c1-30-13-3-5-14(17(23)9-13)16-10-19(22(24)29)25-18-8-12(2-4-15(16)18)11-26-20(27)6-7-21(26)28/h2-5,8-10H,6-7,11H2,1H3,(H2,24,29)
InChIKeySJTAQJTXNNWMAB-UHFFFAOYSA-N
MW407.40 g/mol
LogP2.80
Rot. Bonds5

About 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide

7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide (PubChem CID 71565669) has the molecular formula C22H18FN3O4 and a molecular weight of 407.40 g/mol. Its IUPAC name is 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
PubChem CID71565669
Molecular FormulaC22H18FN3O4
Molecular Weight407.40 g/mol
Exact Mass407.13
IUPAC Name7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)c(F)c1
InChIInChI=1S/C22H18FN3O4/c1-30-13-3-5-14(17(23)9-13)16-10-19(22(24)29)25-18-8-12(2-4-15(16)18)11-26-20(27)6-7-21(26)28/h2-5,8-10H,6-7,11H2,1H3,(H2,24,29)
InChIKeySJTAQJTXNNWMAB-UHFFFAOYSA-N
XLogP2.80
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
CID 6914621
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-(4-methoxy-phenyl)-1H-indole-6-carboxylic acid
CID 5275450
(R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)methoxy)phenyl)-2-oxopyrrolidin-1-yl)-N-hydroxy-3-methylbutanamide
CID 53320639
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
Ethyl 4-{[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3237815
Quinoline derivative 3
CID 89554768
Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(6-methoxy-2-quinolinyl)ethyl]-2-methyl-
CID 5280289
(2S)-N-hydroxy-2-[(3R)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
CID 44440350
N-[2-[(2S)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164616722
N-[2-[(2S)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164624962

Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
The IUPAC name of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide (CID 71565669) is 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
The canonical SMILES for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide is COc1ccc(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)c(F)c1.
What is the InChIKey of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
The InChIKey is SJTAQJTXNNWMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4/c1-30-13-3-5-14(17(23)9-13)16-10-19(22(24)29)25-18-8-12(2-4-15(16)18)11-26-20(27)6-7-21(26)28/h2-5,8-10H,6-7,11H2,1H3,(H2,24,29).
What are the key properties of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 71565669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).