4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide

C24H19F2N3O3 — CID 167645967

IUPAC4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
SMILESCOc1cc2c(Oc3cc(C(=O)NCc4cncc(F)c4)ccc3F)ccnc2cc1C
InChIInChI=1S/C24H19F2N3O3/c1-14-7-20-18(10-22(14)31-2)21(5-6-28-20)32-23-9-16(3-4-19(23)26)24(30)29-12-15-8-17(25)13-27-11-15/h3-11,13H,12H2,1-2H3,(H,29,30)
InChIKeyWYKBTXOQAQTIJD-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.95
Rot. Bonds6

About 4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide

4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide (PubChem CID 167645967) has the molecular formula C24H19F2N3O3 and a molecular weight of 435.43 g/mol. Its IUPAC name is 4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
PubChem CID167645967
Molecular FormulaC24H19F2N3O3
Molecular Weight435.43 g/mol
Exact Mass435.14
IUPAC Name4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
SMILESCOc1cc2c(Oc3cc(C(=O)NCc4cncc(F)c4)ccc3F)ccnc2cc1C
InChIInChI=1S/C24H19F2N3O3/c1-14-7-20-18(10-22(14)31-2)21(5-6-28-20)32-23-9-16(3-4-19(23)26)24(30)29-12-15-8-17(25)13-27-11-15/h3-11,13H,12H2,1-2H3,(H,29,30)
InChIKeyWYKBTXOQAQTIJD-UHFFFAOYSA-N
XLogP4.95
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide with MolForge

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Related Compounds

4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167533681
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 167695764
3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 167579786
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 59598450
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
CID 121197008
N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 68746957
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
CID 80973356

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide?
The IUPAC name of 4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide (CID 167645967) is 4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide.
What is the SMILES notation for 4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide?
The canonical SMILES for 4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide is COc1cc2c(Oc3cc(C(=O)NCc4cncc(F)c4)ccc3F)ccnc2cc1C.
What is the InChIKey of 4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide?
The InChIKey is WYKBTXOQAQTIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3/c1-14-7-20-18(10-22(14)31-2)21(5-6-28-20)32-23-9-16(3-4-19(23)26)24(30)29-12-15-8-17(25)13-27-11-15/h3-11,13H,12H2,1-2H3,(H,29,30).
What are the key properties of 4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide?
4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide has a molecular weight of 435.43 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide is sourced from PubChem (CID 167645967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).