N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide

C23H26FN3O2 — CID 57343353

IUPACN-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N(C)C)cc21
InChIInChI=1S/C23H26FN3O2/c1-4-5-11-27-15-18(23(29)25-14-16-9-7-6-8-10-16)22(28)17-12-19(24)21(26(2)3)13-20(17)27/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,25,29)
InChIKeyYAAVBOPZZSHNQT-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.94
Rot. Bonds7

About N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide

N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide (PubChem CID 57343353) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide
PubChem CID57343353
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N(C)C)cc21
InChIInChI=1S/C23H26FN3O2/c1-4-5-11-27-15-18(23(29)25-14-16-9-7-6-8-10-16)22(28)17-12-19(24)21(26(2)3)13-20(17)27/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,25,29)
InChIKeyYAAVBOPZZSHNQT-UHFFFAOYSA-N
XLogP3.94
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859222
7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid
CID 70388176
3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-(2-methylpropyl)quinolin-4-one
CID 158605748
N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 71019902
2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid
CID 23117845
N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834195
1-butyl-7-chloro-N-[3-(diethylamino)propyl]-4-oxoquinoline-3-carboxamide
CID 78323370
1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 7006971
N-benzyl-1-butyl-5-(2-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 10293778
4-oxo-1-pentyl-7-phenylsulfanyl-N-propan-2-ylquinoline-3-carboxamide
CID 71449467

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide (CID 57343353) is N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide is CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N(C)C)cc21.
What is the InChIKey of N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide?
The InChIKey is YAAVBOPZZSHNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-4-5-11-27-15-18(23(29)25-14-16-9-7-6-8-10-16)22(28)17-12-19(24)21(26(2)3)13-20(17)27/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,25,29).
What are the key properties of N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide?
N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 57343353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).