1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C15H20ClN5O3 — CID 70416203

IUPAC1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCNn1cc(C(=O)O)c(=O)c2ccc(N3CCN(C)CC3)nc21.Cl
InChIInChI=1S/C15H19N5O3.ClH/c1-16-20-9-11(15(22)23)13(21)10-3-4-12(17-14(10)20)19-7-5-18(2)6-8-19;/h3-4,9,16H,5-8H2,1-2H3,(H,22,23);1H
InChIKeyVPYLSJYTWFRTHE-UHFFFAOYSA-N
MW353.81 g/mol
LogP0.44
Rot. Bonds3

About 1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride

1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 70416203) has the molecular formula C15H20ClN5O3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
PubChem CID70416203
Molecular FormulaC15H20ClN5O3
Molecular Weight353.81 g/mol
Exact Mass353.13
IUPAC Name1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCNn1cc(C(=O)O)c(=O)c2ccc(N3CCN(C)CC3)nc21.Cl
InChIInChI=1S/C15H19N5O3.ClH/c1-16-20-9-11(15(22)23)13(21)10-3-4-12(17-14(10)20)19-7-5-18(2)6-8-19;/h3-4,9,16H,5-8H2,1-2H3,(H,22,23);1H
InChIKeyVPYLSJYTWFRTHE-UHFFFAOYSA-N
XLogP0.44
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-1-(methylamino)-7-(4-methyl-1,4-diazepan-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 45259291
7-[3-(methylamino)-4-methylsulfanylpyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 18969065
6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10340975
1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 171344417
7-[(3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrate
CID 86638663
6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 53016826
7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid
CID 135354990
7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 70550478
7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434889
7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 25204356
7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70198540
7-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 18969070

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 70416203) is 1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride is CNn1cc(C(=O)O)c(=O)c2ccc(N3CCN(C)CC3)nc21.Cl.
What is the InChIKey of 1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The InChIKey is VPYLSJYTWFRTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3.ClH/c1-16-20-9-11(15(22)23)13(21)10-3-4-12(17-14(10)20)19-7-5-18(2)6-8-19;/h3-4,9,16H,5-8H2,1-2H3,(H,22,23);1H.
What are the key properties of 1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 353.81 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70416203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).