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

C20H19N3O3 — CID 175402718

IUPAC6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
SMILESCc1cccc(Cn2c(=O)c3c(c4cccnc42)CCN(C(=O)O)C3)c1
InChIInChI=1S/C20H19N3O3/c1-13-4-2-5-14(10-13)11-23-18-16(6-3-8-21-18)15-7-9-22(20(25)26)12-17(15)19(23)24/h2-6,8,10H,7,9,11-12H2,1H3,(H,25,26)
InChIKeyDFHQWEKCIUXTPT-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.79
Rot. Bonds2

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

6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid (PubChem CID 175402718) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
PubChem CID175402718
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
SMILESCc1cccc(Cn2c(=O)c3c(c4cccnc42)CCN(C(=O)O)C3)c1
InChIInChI=1S/C20H19N3O3/c1-13-4-2-5-14(10-13)11-23-18-16(6-3-8-21-18)15-7-9-22(20(25)26)12-17(15)19(23)24/h2-6,8,10H,7,9,11-12H2,1H3,(H,25,26)
InChIKeyDFHQWEKCIUXTPT-UHFFFAOYSA-N
XLogP2.79
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.79
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-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402716
6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402728
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
4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 82023973
6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one
CID 174035462
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
2-methyl-4-[2-oxo-2-[8-[[3-(trifluoromethyl)phenyl]methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]ethyl]benzoic acid
CID 121468578
3,3-dimethyl-6-oxo-6-[8-[[3-(trifluoromethyl)phenyl]methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]hexanoic acid
CID 121468616
11-acetyl-6-[(3-methylphenyl)methyl]-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
CID 20879389
2-[2-methyl-1-[(3-methylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 67219287
9-[(3-methylphenyl)methyl]-6-oxo-7,8-dihydro-5H-carbazole-1-carboxylic acid
CID 84612345

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid (CID 175402718) is 6-[(3-methylphenyl)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-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid is Cc1cccc(Cn2c(=O)c3c(c4cccnc42)CCN(C(=O)O)C3)c1.
What is the InChIKey of 6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
The InChIKey is DFHQWEKCIUXTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-4-2-5-14(10-13)11-23-18-16(6-3-8-21-18)15-7-9-22(20(25)26)12-17(15)19(23)24/h2-6,8,10H,7,9,11-12H2,1H3,(H,25,26).
What are the key properties of 6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid?
6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid is sourced from PubChem (CID 175402718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).