methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate

C20H19N3O4 — CID 651144

IUPACmethyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate
SMILESCCn1cc(C(=O)Nc2cccc(C(=O)OC)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H19N3O4/c1-4-23-11-16(17(24)15-9-8-12(2)21-18(15)23)19(25)22-14-7-5-6-13(10-14)20(26)27-3/h5-11H,4H2,1-3H3,(H,22,25)
InChIKeyBSAJJYNFAVGJOO-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.76
Rot. Bonds4

About methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate

methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate (PubChem CID 651144) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate
PubChem CID651144
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate
SMILESCCn1cc(C(=O)Nc2cccc(C(=O)OC)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H19N3O4/c1-4-23-11-16(17(24)15-9-8-12(2)21-18(15)23)19(25)22-14-7-5-6-13(10-14)20(26)27-3/h5-11H,4H2,1-3H3,(H,22,25)
InChIKeyBSAJJYNFAVGJOO-UHFFFAOYSA-N
XLogP2.76
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate (CID 651144) is methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate is CCn1cc(C(=O)Nc2cccc(C(=O)OC)c2)c(=O)c2ccc(C)nc21.
What is the InChIKey of methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate?
The InChIKey is BSAJJYNFAVGJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-4-23-11-16(17(24)15-9-8-12(2)21-18(15)23)19(25)22-14-7-5-6-13(10-14)20(26)27-3/h5-11H,4H2,1-3H3,(H,22,25).
What are the key properties of methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate?
methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 651144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).