ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate

C24H24N2O3 — CID 118731816

IUPACethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)NCC2)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-3-29-24(28)20-15(2)26-19-13-14-25-23(27)22(19)21(20)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,21,26H,3,13-14H2,1-2H3,(H,25,27)
InChIKeyGBQQITDFTGHCSB-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.65
Rot. Bonds4

About ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate

ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate (PubChem CID 118731816) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate
PubChem CID118731816
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Nameethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)NCC2)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-3-29-24(28)20-15(2)26-19-13-14-25-23(27)22(19)21(20)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,21,26H,3,13-14H2,1-2H3,(H,25,27)
InChIKeyGBQQITDFTGHCSB-UHFFFAOYSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate (CID 118731816) is ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate is CCOC(=O)C1=C(C)NC2=C(C(=O)NCC2)C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate?
The InChIKey is GBQQITDFTGHCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-29-24(28)20-15(2)26-19-13-14-25-23(27)22(19)21(20)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,21,26H,3,13-14H2,1-2H3,(H,25,27).
What are the key properties of ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate?
ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 118731816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).