1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid

C16H20N4O3 — CID 20524642

IUPAC1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1ccc2c(N3CCN(C)CC3)c(C(=O)O)c(=O)n(C)c2n1
InChIInChI=1S/C16H20N4O3/c1-10-4-5-11-13(20-8-6-18(2)7-9-20)12(16(22)23)15(21)19(3)14(11)17-10/h4-5H,6-9H2,1-3H3,(H,22,23)
InChIKeyVQRDKFOMPCYSFY-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.69
Rot. Bonds2

About 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid

1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 20524642) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID20524642
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1ccc2c(N3CCN(C)CC3)c(C(=O)O)c(=O)n(C)c2n1
InChIInChI=1S/C16H20N4O3/c1-10-4-5-11-13(20-8-6-18(2)7-9-20)12(16(22)23)15(21)19(3)14(11)17-10/h4-5H,6-9H2,1-3H3,(H,22,23)
InChIKeyVQRDKFOMPCYSFY-UHFFFAOYSA-N
XLogP0.69
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524636
1-ethyl-7-methyl-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524630
7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 20524649
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
1,2,3,6-tetramethylpyrrolo[2,3-b]pyridine
CID 143933718
3-acetyl-7-hydroxy-4-(4-methylpiperazin-1-yl)chromen-2-one
CID 155677634
1-(3-bromo-6-methyl-2-pyridinyl)-4-methylpiperazine
CID 90004650
3-[5-chloro-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-4-methylbenzoic acid
CID 66689050
tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 147507545
1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70416203
6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82220468
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(4-methylpiperazin-1-yl)purine-2,6-dione
CID 1124814

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 20524642) is 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1ccc2c(N3CCN(C)CC3)c(C(=O)O)c(=O)n(C)c2n1.
What is the InChIKey of 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is VQRDKFOMPCYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-4-5-11-13(20-8-6-18(2)7-9-20)12(16(22)23)15(21)19(3)14(11)17-10/h4-5H,6-9H2,1-3H3,(H,22,23).
What are the key properties of 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 20524642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).