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

C23H23FN2O4 — CID 3194117

IUPAC2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc2cc(CN(CC3CCCO3)C(=O)c3ccccc3F)c(=O)[nH]c2c1
InChIInChI=1S/C23H23FN2O4/c1-29-17-9-8-15-11-16(22(27)25-21(15)12-17)13-26(14-18-5-4-10-30-18)23(28)19-6-2-3-7-20(19)24/h2-3,6-9,11-12,18H,4-5,10,13-14H2,1H3,(H,25,27)
InChIKeyAVABSOHBKVYJLW-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.50
Rot. Bonds6

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

2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3194117) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3194117
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc2cc(CN(CC3CCCO3)C(=O)c3ccccc3F)c(=O)[nH]c2c1
InChIInChI=1S/C23H23FN2O4/c1-29-17-9-8-15-11-16(22(27)25-21(15)12-17)13-26(14-18-5-4-10-30-18)23(28)19-6-2-3-7-20(19)24/h2-3,6-9,11-12,18H,4-5,10,13-14H2,1H3,(H,25,27)
InChIKeyAVABSOHBKVYJLW-UHFFFAOYSA-N
XLogP3.50
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide with MolForge

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Related Compounds

1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis(oxolan-2-ylmethyl)thiourea
CID 3172217
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1453773
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1137598
1-benzyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)thiourea
CID 3172144
3-(2-methoxyethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7108635
3-(2-methoxyethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 7108638
1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)thiourea
CID 3172235
4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077959
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1137590
3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 95197102
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
3-(3-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1137592

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 3194117) is 2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc2cc(CN(CC3CCCO3)C(=O)c3ccccc3F)c(=O)[nH]c2c1.
What is the InChIKey of 2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is AVABSOHBKVYJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-29-17-9-8-15-11-16(22(27)25-21(15)12-17)13-26(14-18-5-4-10-30-18)23(28)19-6-2-3-7-20(19)24/h2-3,6-9,11-12,18H,4-5,10,13-14H2,1H3,(H,25,27).
What are the key properties of 2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 410.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3194117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).