4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide

C29H24FN3O3 — CID 55977869

IUPAC4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1cccc(OCc2cccnc2)c1)c1ccc(F)cc1
InChIInChI=1S/C29H24FN3O3/c30-23-13-11-21(12-14-23)28(34)32-26-9-2-10-27-25(26)8-4-16-33(27)29(35)22-6-1-7-24(17-22)36-19-20-5-3-15-31-18-20/h1-3,5-7,9-15,17-18H,4,8,16,19H2,(H,32,34)
InChIKeySFTBZQOQHJULKY-UHFFFAOYSA-N
MW481.53 g/mol
LogP5.64
Rot. Bonds6

About 4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide

4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide (PubChem CID 55977869) has the molecular formula C29H24FN3O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is 4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
PubChem CID55977869
Molecular FormulaC29H24FN3O3
Molecular Weight481.53 g/mol
Exact Mass481.18
IUPAC Name4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1cccc(OCc2cccnc2)c1)c1ccc(F)cc1
InChIInChI=1S/C29H24FN3O3/c30-23-13-11-21(12-14-23)28(34)32-26-9-2-10-27-25(26)8-4-16-33(27)29(35)22-6-1-7-24(17-22)36-19-20-5-3-15-31-18-20/h1-3,5-7,9-15,17-18H,4,8,16,19H2,(H,32,34)
InChIKeySFTBZQOQHJULKY-UHFFFAOYSA-N
XLogP5.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide with MolForge

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978757
4-piperidin-1-yl-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]benzamide
CID 55910186
N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978374
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 78890950
N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 52725585
(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 86826233
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55979296
N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 55772271
N-(2-fluoro-5-methylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39676400

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide (CID 55977869) is 4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide is O=C(Nc1cccc2c1CCCN2C(=O)c1cccc(OCc2cccnc2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The InChIKey is SFTBZQOQHJULKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O3/c30-23-13-11-21(12-14-23)28(34)32-26-9-2-10-27-25(26)8-4-16-33(27)29(35)22-6-1-7-24(17-22)36-19-20-5-3-15-31-18-20/h1-3,5-7,9-15,17-18H,4,8,16,19H2,(H,32,34).
What are the key properties of 4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide has a molecular weight of 481.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide is sourced from PubChem (CID 55977869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).