methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate

C21H20N2O3 — CID 142701713

IUPACmethyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate
SMILESCOC(=O)c1c(C2CC2)c(=O)c2c(C)cc(C)nc2n1-c1ccccc1
InChIInChI=1S/C21H20N2O3/c1-12-11-13(2)22-20-16(12)19(24)17(14-9-10-14)18(21(25)26-3)23(20)15-7-5-4-6-8-15/h4-8,11,14H,9-10H2,1-3H3
InChIKeyKECYXRQYWJBIBX-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.67
Rot. Bonds3

About methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate

methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate (PubChem CID 142701713) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate
PubChem CID142701713
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Namemethyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate
SMILESCOC(=O)c1c(C2CC2)c(=O)c2c(C)cc(C)nc2n1-c1ccccc1
InChIInChI=1S/C21H20N2O3/c1-12-11-13(2)22-20-16(12)19(24)17(14-9-10-14)18(21(25)26-3)23(20)15-7-5-4-6-8-15/h4-8,11,14H,9-10H2,1-3H3
InChIKeyKECYXRQYWJBIBX-UHFFFAOYSA-N
XLogP3.67
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate (CID 142701713) is methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate is COC(=O)c1c(C2CC2)c(=O)c2c(C)cc(C)nc2n1-c1ccccc1.
What is the InChIKey of methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate?
The InChIKey is KECYXRQYWJBIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-12-11-13(2)22-20-16(12)19(24)17(14-9-10-14)18(21(25)26-3)23(20)15-7-5-4-6-8-15/h4-8,11,14H,9-10H2,1-3H3.
What are the key properties of methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate?
methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate is sourced from PubChem (CID 142701713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).