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

C19H16ClN3O3 — CID 175402716

IUPAC6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
SMILESO=C(O)N1CCc2c(c(=O)n(Cc3cccc(Cl)c3)c3ncccc23)C1
InChIInChI=1S/C19H16ClN3O3/c20-13-4-1-3-12(9-13)10-23-17-15(5-2-7-21-17)14-6-8-22(19(25)26)11-16(14)18(23)24/h1-5,7,9H,6,8,10-11H2,(H,25,26)
InChIKeyXWNKJAQUHZPGLD-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.13
Rot. Bonds2

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

6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid (PubChem CID 175402716) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
PubChem CID175402716
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
SMILESO=C(O)N1CCc2c(c(=O)n(Cc3cccc(Cl)c3)c3ncccc23)C1
InChIInChI=1S/C19H16ClN3O3/c20-13-4-1-3-12(9-13)10-23-17-15(5-2-7-21-17)14-6-8-22(19(25)26)11-16(14)18(23)24/h1-5,7,9H,6,8,10-11H2,(H,25,26)
InChIKeyXWNKJAQUHZPGLD-UHFFFAOYSA-N
XLogP3.13
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.13
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-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402728
1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727016
6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one
CID 174035462
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
7-benzyl-11-[(3-chlorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one
CID 166473129
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
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
8-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 46328093
1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 59699648
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

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid (CID 175402716) is 6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid is O=C(O)N1CCc2c(c(=O)n(Cc3cccc(Cl)c3)c3ncccc23)C1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
The InChIKey is XWNKJAQUHZPGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c20-13-4-1-3-12(9-13)10-23-17-15(5-2-7-21-17)14-6-8-22(19(25)26)11-16(14)18(23)24/h1-5,7,9H,6,8,10-11H2,(H,25,26).
What are the key properties of 6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid has a molecular weight of 369.81 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid is sourced from PubChem (CID 175402716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).