methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate

C18H16N2O3 — CID 38020965

IUPACmethyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(-c3ccccc3)ccc12
InChIInChI=1S/C18H16N2O3/c1-11-15-14(16(12(2)19-11)18(22)23-3)9-10-20(17(15)21)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyOKCAVCZFXJMUQX-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.79
Rot. Bonds2

About methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate

methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate (PubChem CID 38020965) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate
PubChem CID38020965
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namemethyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(-c3ccccc3)ccc12
InChIInChI=1S/C18H16N2O3/c1-11-15-14(16(12(2)19-11)18(22)23-3)9-10-20(17(15)21)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyOKCAVCZFXJMUQX-UHFFFAOYSA-N
XLogP2.79
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498695
methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498582
methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498661
methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498652
methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
CID 22769956
methyl 8-amino-3-methyl-1-oxo-2-phenylisoquinoline-4-carboxylate
CID 67132488
methyl 4-methyl-10-oxo-11-pyridin-3-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66504572
methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate
CID 162411116
4-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 175789879
methyl acridine-9-carboxylate
CID 21211
methyl 6-hydroxy-2-methyl-5-oxopyridazino[3,4-c]quinoline-1-carboxylate
CID 10517236
methyl 2-oxo-1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,9,11,13,15-heptaene-3-carboxylate
CID 132564758

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate (CID 38020965) is methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate is COC(=O)c1c(C)nc(C)c2c(=O)n(-c3ccccc3)ccc12.
What is the InChIKey of methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate?
The InChIKey is OKCAVCZFXJMUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-15-14(16(12(2)19-11)18(22)23-3)9-10-20(17(15)21)13-7-5-4-6-8-13/h4-10H,1-3H3.
What are the key properties of methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate?
methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 38020965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).