7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C19H13ClF2N4O3 — CID 174257464

IUPAC7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCl.Nc1ccn(-c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)c1
InChIInChI=1S/C19H12F2N4O3.ClH/c20-10-1-3-12(4-2-10)25-9-14(19(27)28)16(26)13-7-15(21)18(23-17(13)25)24-6-5-11(22)8-24;/h1-9H,22H2,(H,27,28);1H
InChIKeyQPWINXKSIMURTE-UHFFFAOYSA-N
MW418.79 g/mol
LogP3.16
Rot. Bonds3

About 7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride

7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 174257464) has the molecular formula C19H13ClF2N4O3 and a molecular weight of 418.79 g/mol. Its IUPAC name is 7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
PubChem CID174257464
Molecular FormulaC19H13ClF2N4O3
Molecular Weight418.79 g/mol
Exact Mass418.06
IUPAC Name7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCl.Nc1ccn(-c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)c1
InChIInChI=1S/C19H12F2N4O3.ClH/c20-10-1-3-12(4-2-10)25-9-14(19(27)28)16(26)13-7-15(21)18(23-17(13)25)24-6-5-11(22)8-24;/h1-9H,22H2,(H,27,28);1H
InChIKeyQPWINXKSIMURTE-UHFFFAOYSA-N
XLogP3.16
TPSA103.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 21475372
7-[(1S,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70207564
1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10893526
7-[(1R,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 98079436
7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 174332449
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10546084
1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 143136205
1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70462520
1-(5-amino-2,4-difluorophenyl)-7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54323311
1-(3,5-difluoro-2-pyridinyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 134346790
7-[(3aR,4R,7aS)-4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-6-fluoro-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11155197
7-[3-(1-aminopropan-2-ylidene)piperidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 68522369

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 174257464) is 7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride is Cl.Nc1ccn(-c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)c1.
What is the InChIKey of 7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The InChIKey is QPWINXKSIMURTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O3.ClH/c20-10-1-3-12(4-2-10)25-9-14(19(27)28)16(26)13-7-15(21)18(23-17(13)25)24-6-5-11(22)8-24;/h1-9H,22H2,(H,27,28);1H.
What are the key properties of 7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 418.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 174257464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).