N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide

C26H22F2N4O2S — CID 71212777

IUPACN-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2F)c2cc(F)ccc2c1=O)c1cccnc1N1CCSCC1
InChIInChI=1S/C26H22F2N4O2S/c27-18-7-8-19-23(14-18)32(22-6-2-1-5-21(22)28)16-17(24(19)33)15-30-26(34)20-4-3-9-29-25(20)31-10-12-35-13-11-31/h1-9,14,16H,10-13,15H2,(H,30,34)
InChIKeyIBYRCWFRBSKRMF-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.15
Rot. Bonds5

About N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide

N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide (PubChem CID 71212777) has the molecular formula C26H22F2N4O2S and a molecular weight of 492.55 g/mol. Its IUPAC name is N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide
PubChem CID71212777
Molecular FormulaC26H22F2N4O2S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC NameN-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2F)c2cc(F)ccc2c1=O)c1cccnc1N1CCSCC1
InChIInChI=1S/C26H22F2N4O2S/c27-18-7-8-19-23(14-18)32(22-6-2-1-5-21(22)28)16-17(24(19)33)15-30-26(34)20-4-3-9-29-25(20)31-10-12-35-13-11-31/h1-9,14,16H,10-13,15H2,(H,30,34)
InChIKeyIBYRCWFRBSKRMF-UHFFFAOYSA-N
XLogP4.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 118601546
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 86998055
2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
CID 23987423
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536
sodium;3-(aminomethyl)-7-fluoro-1-(2-fluorophenyl)quinolin-4-one;3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)quinolin-4-one;azide
CID 162218806
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide
CID 75512496
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375
N-[(2-fluorophenyl)methyl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92760923

Frequently Asked Questions

What is the IUPAC name of N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide (CID 71212777) is N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide is O=C(NCc1cn(-c2ccccc2F)c2cc(F)ccc2c1=O)c1cccnc1N1CCSCC1.
What is the InChIKey of N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide?
The InChIKey is IBYRCWFRBSKRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O2S/c27-18-7-8-19-23(14-18)32(22-6-2-1-5-21(22)28)16-17(24(19)33)15-30-26(34)20-4-3-9-29-25(20)31-10-12-35-13-11-31/h1-9,14,16H,10-13,15H2,(H,30,34).
What are the key properties of N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide?
N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide has a molecular weight of 492.55 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 71212777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).