2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C20H19FN2O4 — CID 652662

IUPAC2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc2cc(CN(CCO)C(=O)c3ccccc3F)c(=O)[nH]c2c1
InChIInChI=1S/C20H19FN2O4/c1-27-15-7-6-13-10-14(19(25)22-18(13)11-15)12-23(8-9-24)20(26)16-4-2-3-5-17(16)21/h2-7,10-11,24H,8-9,12H2,1H3,(H,22,25)
InChIKeyAFHUVGLMRIPVIY-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.31
Rot. Bonds6

About 2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 652662) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID652662
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc2cc(CN(CCO)C(=O)c3ccccc3F)c(=O)[nH]c2c1
InChIInChI=1S/C20H19FN2O4/c1-27-15-7-6-13-10-14(19(25)22-18(13)11-15)12-23(8-9-24)20(26)16-4-2-3-5-17(16)21/h2-7,10-11,24H,8-9,12H2,1H3,(H,22,25)
InChIKeyAFHUVGLMRIPVIY-UHFFFAOYSA-N
XLogP2.31
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 652662) is 2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc2cc(CN(CCO)C(=O)c3ccccc3F)c(=O)[nH]c2c1.
What is the InChIKey of 2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is AFHUVGLMRIPVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-27-15-7-6-13-10-14(19(25)22-18(13)11-15)12-23(8-9-24)20(26)16-4-2-3-5-17(16)21/h2-7,10-11,24H,8-9,12H2,1H3,(H,22,25).
What are the key properties of 2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 370.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 652662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).