7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide

C21H20FN3O3 — CID 136514268

IUPAC7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C21H20FN3O3/c1-28-19-5-3-2-4-18(19)25-9-8-14(12-25)23-21(27)16-11-20(26)24-17-10-13(22)6-7-15(16)17/h2-7,10-11,14H,8-9,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyIWRCHTLHKGLLKB-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.68
Rot. Bonds4

About 7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide

7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 136514268) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID136514268
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C21H20FN3O3/c1-28-19-5-3-2-4-18(19)25-9-8-14(12-25)23-21(27)16-11-20(26)24-17-10-13(22)6-7-15(16)17/h2-7,10-11,14H,8-9,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyIWRCHTLHKGLLKB-UHFFFAOYSA-N
XLogP2.68
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119387295
cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675306
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide
CID 136517434
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
7-fluoro-2-oxo-N-piperidin-3-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119425856
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide
CID 136514939
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
CID 86966315
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94694746
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 136514268) is 7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide is COc1ccccc1N1CCC(NC(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1.
What is the InChIKey of 7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is IWRCHTLHKGLLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-28-19-5-3-2-4-18(19)25-9-8-14(12-25)23-21(27)16-11-20(26)24-17-10-13(22)6-7-15(16)17/h2-7,10-11,14H,8-9,12H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 136514268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).