methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate

C16H20N2O4 — CID 66498582

IUPACmethyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOCCCn1ccc2c(C(=O)OC)c(C)nc(C)c2c1=O
InChIInChI=1S/C16H20N2O4/c1-10-13-12(14(11(2)17-10)16(20)22-4)6-8-18(15(13)19)7-5-9-21-3/h6,8H,5,7,9H2,1-4H3
InChIKeyYREARVVMCIOWPD-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.84
Rot. Bonds5

About methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate

methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate (PubChem CID 66498582) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
PubChem CID66498582
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOCCCn1ccc2c(C(=O)OC)c(C)nc(C)c2c1=O
InChIInChI=1S/C16H20N2O4/c1-10-13-12(14(11(2)17-10)16(20)22-4)6-8-18(15(13)19)7-5-9-21-3/h6,8H,5,7,9H2,1-4H3
InChIKeyYREARVVMCIOWPD-UHFFFAOYSA-N
XLogP1.84
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498652
methyl 1,3-dimethyl-8-oxo-7-phenyl-2,7-naphthyridine-4-carboxylate
CID 38020965
methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498695
methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498661
3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526386
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43864994
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526375
methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate
CID 19039704
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one
CID 82526709

Frequently Asked Questions

What is the IUPAC name of methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate (CID 66498582) is methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate is COCCCn1ccc2c(C(=O)OC)c(C)nc(C)c2c1=O.
What is the InChIKey of methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The InChIKey is YREARVVMCIOWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10-13-12(14(11(2)17-10)16(20)22-4)6-8-18(15(13)19)7-5-9-21-3/h6,8H,5,7,9H2,1-4H3.
What are the key properties of methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 66498582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).