7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C18H19ClFN5O3S — CID 45265368

IUPAC7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCN(C)C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1.Cl
InChIInChI=1S/C18H18FN5O3S.ClH/c1-22(2)10-3-5-23(8-10)16-13(19)7-11-14(25)12(17(26)27)9-24(15(11)21-16)18-20-4-6-28-18;/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,26,27);1H
InChIKeyQTMHORUAFUMPRT-UHFFFAOYSA-N
MW439.90 g/mol
LogP2.24
Rot. Bonds4

About 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 45265368) has the molecular formula C18H19ClFN5O3S and a molecular weight of 439.90 g/mol. Its IUPAC name is 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
PubChem CID45265368
Molecular FormulaC18H19ClFN5O3S
Molecular Weight439.90 g/mol
Exact Mass439.09
IUPAC Name7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCN(C)C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1.Cl
InChIInChI=1S/C18H18FN5O3S.ClH/c1-22(2)10-3-5-23(8-10)16-13(19)7-11-14(25)12(17(26)27)9-24(15(11)21-16)18-20-4-6-28-18;/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,26,27);1H
InChIKeyQTMHORUAFUMPRT-UHFFFAOYSA-N
XLogP2.24
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 45265368) is 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is CN(C)C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1.Cl.
What is the InChIKey of 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The InChIKey is QTMHORUAFUMPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3S.ClH/c1-22(2)10-3-5-23(8-10)16-13(19)7-11-14(25)12(17(26)27)9-24(15(11)21-16)18-20-4-6-28-18;/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,26,27);1H.
What are the key properties of 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 439.90 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45265368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).