5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide

C23H23F2N3O3 — CID 71734602

IUPAC5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NN3CCCCC3)c(=O)c3c(F)ccc(F)c32)cc1
InChIInChI=1S/C23H23F2N3O3/c1-31-16-7-5-15(6-8-16)13-27-14-17(23(30)26-28-11-3-2-4-12-28)22(29)20-18(24)9-10-19(25)21(20)27/h5-10,14H,2-4,11-13H2,1H3,(H,26,30)
InChIKeyMGGQVQLBLRZGEW-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.47
Rot. Bonds5

About 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide

5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide (PubChem CID 71734602) has the molecular formula C23H23F2N3O3 and a molecular weight of 427.45 g/mol. Its IUPAC name is 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide
PubChem CID71734602
Molecular FormulaC23H23F2N3O3
Molecular Weight427.45 g/mol
Exact Mass427.17
IUPAC Name5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NN3CCCCC3)c(=O)c3c(F)ccc(F)c32)cc1
InChIInChI=1S/C23H23F2N3O3/c1-31-16-7-5-15(6-8-16)13-27-14-17(23(30)26-28-11-3-2-4-12-28)22(29)20-18(24)9-10-19(25)21(20)27/h5-10,14H,2-4,11-13H2,1H3,(H,26,30)
InChIKeyMGGQVQLBLRZGEW-UHFFFAOYSA-N
XLogP3.47
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,8-difluoro-N-[(1S)-2-hydroxycyclopentyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 155106723
5,8-difluoro-3-[(E)-6-hydroxyhex-2-enoyl]-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 155106719
8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967424
2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
1-(chloromethyl)-4-methoxybenzene;5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylic acid;ethyl 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate;ethyl 5,8-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 158803760
ethyl 5,8-difluoro-4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate
CID 68559575
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
1-[[4-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]phenyl]methyl]-5,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143941862
2-amino-5-methoxy-N-piperidin-1-ylbenzamide
CID 83013031
1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide
CID 155106819
1-[(4-ethoxyphenyl)methyl]-5,8-difluoro-3-[1-(1H-pyrazol-5-ylamino)ethenyl]quinolin-4-one
CID 155106805
4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride
CID 135312927

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide?
The IUPAC name of 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide (CID 71734602) is 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide?
The canonical SMILES for 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide is COc1ccc(Cn2cc(C(=O)NN3CCCCC3)c(=O)c3c(F)ccc(F)c32)cc1.
What is the InChIKey of 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide?
The InChIKey is MGGQVQLBLRZGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3/c1-31-16-7-5-15(6-8-16)13-27-14-17(23(30)26-28-11-3-2-4-12-28)22(29)20-18(24)9-10-19(25)21(20)27/h5-10,14H,2-4,11-13H2,1H3,(H,26,30).
What are the key properties of 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide?
5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide has a molecular weight of 427.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 71734602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).