benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C19H18N2O3 — CID 1257338

IUPACbenzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCc2ccccc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H18N2O3/c1-3-21-11-16(17(22)15-10-9-13(2)20-18(15)21)19(23)24-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyVWLNTSBTJQWOKN-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.08
Rot. Bonds4

About benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 1257338) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID1257338
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namebenzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCc2ccccc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H18N2O3/c1-3-21-11-16(17(22)15-10-9-13(2)20-18(15)21)19(23)24-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyVWLNTSBTJQWOKN-UHFFFAOYSA-N
XLogP3.08
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Nalidixic Acid
CID 4421
Amfonelic Acid
CID 2137
Nalidixate Sodium
CID 23675318
Nalidixate Sodium Anhydrous
CID 3864541
4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 5373672
Ethyl 2-amino-5,6,7,8-tetrahydro-3-quinolinecarboxylate
CID 3808295
Ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5373687
Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 1268243
4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
Prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3981051
2-[3-(2-Methyl-allyl)-thioureido]-5,6,7,8-tetrahydro-quinoline-3-carboxylic acid ethyl ester
CID 3751938
Methyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 604668

Frequently Asked Questions

What is the IUPAC name of benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 1257338) is benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCc2ccccc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is VWLNTSBTJQWOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-21-11-16(17(22)15-10-9-13(2)20-18(15)21)19(23)24-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3.
What are the key properties of benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 1257338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).