7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

C19H16F2N2O3 — CID 66650297

IUPAC7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(NCc3ccccc3)c(F)c21
InChIInChI=1S/C19H16F2N2O3/c1-2-23-10-13(19(25)26)18(24)12-8-14(20)16(15(21)17(12)23)22-9-11-6-4-3-5-7-11/h3-8,10,22H,2,9H2,1H3,(H,25,26)
InChIKeyAVOAGNSVJLNPJS-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.61
Rot. Bonds5

About 7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 66650297) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is 7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID66650297
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(NCc3ccccc3)c(F)c21
InChIInChI=1S/C19H16F2N2O3/c1-2-23-10-13(19(25)26)18(24)12-8-14(20)16(15(21)17(12)23)22-9-11-6-4-3-5-7-11/h3-8,10,22H,2,9H2,1H3,(H,25,26)
InChIKeyAVOAGNSVJLNPJS-UHFFFAOYSA-N
XLogP3.61
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

7-[(9,10-dioxoanthracen-2-yl)amino]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 163696385
7-[(4-aminopiperazin-1-yl)amino]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 142634236
7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 171060805
1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate
CID 6950069
1-ethyl-6,8-difluoro-7-(nitromethyl)-4-oxoquinoline-3-carboxylic acid
CID 102466718
5-(benzylamino)-6,7-difluoro-4-oxo-1-(2-phenylethyl)quinoline-3-carboxylic acid
CID 141188862
7-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14328924
1-ethyl-7-[3-(ethylamino)-2-methylazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 139676838
1-ethyl-6,8-difluoro-7-[[4-[(4-nitrophenoxy)methyl]cyclohexanecarbonyl]amino]-4-oxoquinoline-3-carboxylic acid
CID 71454017
7-(1,4-diazepan-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 13422055
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 3948
7-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 15595862

Frequently Asked Questions

What is the IUPAC name of 7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (CID 66650297) is 7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(NCc3ccccc3)c(F)c21.
What is the InChIKey of 7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is AVOAGNSVJLNPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c1-2-23-10-13(19(25)26)18(24)12-8-14(20)16(15(21)17(12)23)22-9-11-6-4-3-5-7-11/h3-8,10,22H,2,9H2,1H3,(H,25,26).
What are the key properties of 7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 358.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 66650297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).