6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid

C21H21N3O3 — CID 175402728

IUPAC6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
SMILESCCc1ccccc1Cn1c(=O)c2c(c3cccnc31)CCN(C(=O)O)C2
InChIInChI=1S/C21H21N3O3/c1-2-14-6-3-4-7-15(14)12-24-19-17(8-5-10-22-19)16-9-11-23(21(26)27)13-18(16)20(24)25/h3-8,10H,2,9,11-13H2,1H3,(H,26,27)
InChIKeyQOLWCAHESLXOGD-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.04
Rot. Bonds3

About 6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid

6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid (PubChem CID 175402728) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
PubChem CID175402728
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
SMILESCCc1ccccc1Cn1c(=O)c2c(c3cccnc31)CCN(C(=O)O)C2
InChIInChI=1S/C21H21N3O3/c1-2-14-6-3-4-7-15(14)12-24-19-17(8-5-10-22-19)16-9-11-23(21(26)27)13-18(16)20(24)25/h3-8,10H,2,9,11-13H2,1H3,(H,26,27)
InChIKeyQOLWCAHESLXOGD-UHFFFAOYSA-N
XLogP3.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402718
6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402716
6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one
CID 174035462
2-[2-(8-ethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)-2-oxoethoxy]acetic acid
CID 118858088
5-[2-[8-[(3-ethylphenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]pyridine-2-carboxylic acid
CID 121468607
5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid
CID 130233349
6-[8-[(3-ethylphenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2,2-dimethyl-6-oxohexanoic acid
CID 121468664
4-[2-[8-[(3-methylphenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 163761339
2-ethoxy-4-[2-oxo-2-[8-[[5-(trifluoromethyl)thiophen-2-yl]methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]ethyl]benzoic acid
CID 121468763
4-[2-[8-[(4-chlorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 56597674
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54731920
3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid
CID 175289153

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid (CID 175402728) is 6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid is CCc1ccccc1Cn1c(=O)c2c(c3cccnc31)CCN(C(=O)O)C2.
What is the InChIKey of 6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
The InChIKey is QOLWCAHESLXOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-14-6-3-4-7-15(14)12-24-19-17(8-5-10-22-19)16-9-11-23(21(26)27)13-18(16)20(24)25/h3-8,10H,2,9,11-13H2,1H3,(H,26,27).
What are the key properties of 6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid is sourced from PubChem (CID 175402728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).