1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid

C19H23FN4O3 — CID 21293044

IUPAC1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid
SMILESCCNCC1CCN(c2nc3c(cc2F)c(=O)cc(C(=O)O)n3C2CC2)C1
InChIInChI=1S/C19H23FN4O3/c1-2-21-9-11-5-6-23(10-11)18-14(20)7-13-16(25)8-15(19(26)27)24(12-3-4-12)17(13)22-18/h7-8,11-12,21H,2-6,9-10H2,1H3,(H,26,27)
InChIKeyXSBONSOORLLUTD-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.00
Rot. Bonds6

About 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid

1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid (PubChem CID 21293044) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid
PubChem CID21293044
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid
SMILESCCNCC1CCN(c2nc3c(cc2F)c(=O)cc(C(=O)O)n3C2CC2)C1
InChIInChI=1S/C19H23FN4O3/c1-2-21-9-11-5-6-23(10-11)18-14(20)7-13-16(25)8-15(19(26)27)24(12-3-4-12)17(13)22-18/h7-8,11-12,21H,2-6,9-10H2,1H3,(H,26,27)
InChIKeyXSBONSOORLLUTD-UHFFFAOYSA-N
XLogP2.00
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid (CID 21293044) is 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid is CCNCC1CCN(c2nc3c(cc2F)c(=O)cc(C(=O)O)n3C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid?
The InChIKey is XSBONSOORLLUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-2-21-9-11-5-6-23(10-11)18-14(20)7-13-16(25)8-15(19(26)27)24(12-3-4-12)17(13)22-18/h7-8,11-12,21H,2-6,9-10H2,1H3,(H,26,27).
What are the key properties of 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid?
1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid has a molecular weight of 374.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 21293044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).