1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid

C15H18N4O3 — CID 20524636

IUPAC1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCN1CCN(c2c(C(=O)O)c(=O)n(C)c3ncccc23)CC1
InChIInChI=1S/C15H18N4O3/c1-17-6-8-19(9-7-17)12-10-4-3-5-16-13(10)18(2)14(20)11(12)15(21)22/h3-5H,6-9H2,1-2H3,(H,21,22)
InChIKeyRQPODFCEZJIVCH-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.38
Rot. Bonds2

About 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid

1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 20524636) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID20524636
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCN1CCN(c2c(C(=O)O)c(=O)n(C)c3ncccc23)CC1
InChIInChI=1S/C15H18N4O3/c1-17-6-8-19(9-7-17)12-10-4-3-5-16-13(10)18(2)14(20)11(12)15(21)22/h3-5H,6-9H2,1-2H3,(H,21,22)
InChIKeyRQPODFCEZJIVCH-UHFFFAOYSA-N
XLogP0.38
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524642
2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84681728
9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 44819848
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid
CID 141185183
1-(4-methylpiperazin-1-yl)isoquinoline-4-carboxylic acid
CID 106766477
2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 175115180
1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 146615670
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
1-(4-methyl-1,4-diazepan-1-yl)isoquinoline-4-carboxylic acid
CID 106766526
(4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium
CID 87903535
2-(4-methylpiperazin-1-yl)-4,10-dioxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid
CID 70398051

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 20524636) is 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is CN1CCN(c2c(C(=O)O)c(=O)n(C)c3ncccc23)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is RQPODFCEZJIVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-17-6-8-19(9-7-17)12-10-4-3-5-16-13(10)18(2)14(20)11(12)15(21)22/h3-5H,6-9H2,1-2H3,(H,21,22).
What are the key properties of 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 20524636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).