1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C18H20FN3O3 — CID 23364543

IUPAC1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(F)c(N2CCCC2C)nc2c1c(=O)c(C(=O)O)cn2C1CC1
InChIInChI=1S/C18H20FN3O3/c1-9-4-3-7-21(9)17-14(19)10(2)13-15(23)12(18(24)25)8-22(11-5-6-11)16(13)20-17/h8-9,11H,3-7H2,1-2H3,(H,24,25)
InChIKeyGRPUQCVRTQZIOT-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.87
Rot. Bonds3

About 1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 23364543) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID23364543
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(F)c(N2CCCC2C)nc2c1c(=O)c(C(=O)O)cn2C1CC1
InChIInChI=1S/C18H20FN3O3/c1-9-4-3-7-21(9)17-14(19)10(2)13-15(23)12(18(24)25)8-22(11-5-6-11)16(13)20-17/h8-9,11H,3-7H2,1-2H3,(H,24,25)
InChIKeyGRPUQCVRTQZIOT-UHFFFAOYSA-N
XLogP2.87
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 23276862
7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142640329
1-cyclopropyl-6,8-difluoro-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14651171
ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 70367892
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
1-cyclopropyl-6,7-difluoro-5-methyl-8-nitro-4-oxoquinoline-3-carboxylic acid
CID 23364523
1-cyclopropyl-6,8-difluoro-5-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 14651197
8-chloro-1-cyclopropyl-6-fluoro-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14651176
(15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
CID 11844084
1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70462520
7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 14651207
5-amino-1-cyclopropyl-8-fluoro-6-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 142629253

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 23364543) is 1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1c(F)c(N2CCCC2C)nc2c1c(=O)c(C(=O)O)cn2C1CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is GRPUQCVRTQZIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-9-4-3-7-21(9)17-14(19)10(2)13-15(23)12(18(24)25)8-22(11-5-6-11)16(13)20-17/h8-9,11H,3-7H2,1-2H3,(H,24,25).
What are the key properties of 1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 23364543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).