1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide

C23H27FN5O2+ — CID 7006971

IUPAC1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21
InChIInChI=1S/C23H26FN5O2/c1-3-28-15-18(23(31)26-14-16-5-4-6-25-13-16)22(30)17-11-19(24)21(12-20(17)28)29-9-7-27(2)8-10-29/h4-6,11-13,15H,3,7-10,14H2,1-2H3,(H,26,31)/p+1
InChIKeyCXVOGHIYLRUHFP-UHFFFAOYSA-O
MW424.50 g/mol
LogP0.82
Rot. Bonds5

About 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide

1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide (PubChem CID 7006971) has the molecular formula C23H27FN5O2+ and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
PubChem CID7006971
Molecular FormulaC23H27FN5O2+
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21
InChIInChI=1S/C23H26FN5O2/c1-3-28-15-18(23(31)26-14-16-5-4-6-25-13-16)22(30)17-11-19(24)21(12-20(17)28)29-9-7-27(2)8-10-29/h4-6,11-13,15H,3,7-10,14H2,1-2H3,(H,26,31)/p+1
InChIKeyCXVOGHIYLRUHFP-UHFFFAOYSA-O
XLogP0.82
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-6-fluoro-N-(2-hydroxyethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 10959389
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
N-(cyclopropylmethyl)-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 167777571
1-ethyl-6-fluoro-7-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 142486682
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
7-(1,3-dihydroisoindol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14795805
1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 30132048
(1S,9R)-10-[1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carbonyl]-7,10-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one chloride
CID 44660058
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
10-[1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carbonyl]-7,10-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 3666025
1-ethyl-6-fluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 167971792

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide (CID 7006971) is 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide is CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The InChIKey is CXVOGHIYLRUHFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26FN5O2/c1-3-28-15-18(23(31)26-14-16-5-4-6-25-13-16)22(30)17-11-19(24)21(12-20(17)28)29-9-7-27(2)8-10-29/h4-6,11-13,15H,3,7-10,14H2,1-2H3,(H,26,31)/p+1.
What are the key properties of 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 7006971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).