methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate

C17H23N3O3 — CID 66498652

IUPACmethyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(CCCN(C)C)ccc12
InChIInChI=1S/C17H23N3O3/c1-11-14-13(15(12(2)18-11)17(22)23-5)7-10-20(16(14)21)9-6-8-19(3)4/h7,10H,6,8-9H2,1-5H3
InChIKeySYLCKLCXBANART-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.75
Rot. Bonds5

About methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate

methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate (PubChem CID 66498652) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
PubChem CID66498652
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Namemethyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(CCCN(C)C)ccc12
InChIInChI=1S/C17H23N3O3/c1-11-14-13(15(12(2)18-11)17(22)23-5)7-10-20(16(14)21)9-6-8-19(3)4/h7,10H,6,8-9H2,1-5H3
InChIKeySYLCKLCXBANART-UHFFFAOYSA-N
XLogP1.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-(3-methoxypropyl)-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498582
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
ethyl 1-[3-(dimethylamino)propyl]pyrrole-2-carboxylate
CID 105422127
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one
CID 82212099
2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62402584
8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865004
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 54514881
2-(4-iodobutyl)-6,7,10,11-tetramethoxyphenanthro[9,10-c]pyridin-1-one
CID 11706611

Frequently Asked Questions

What is the IUPAC name of methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate (CID 66498652) is methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate is COC(=O)c1c(C)nc(C)c2c(=O)n(CCCN(C)C)ccc12.
What is the InChIKey of methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The InChIKey is SYLCKLCXBANART-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-14-13(15(12(2)18-11)17(22)23-5)7-10-20(16(14)21)9-6-8-19(3)4/h7,10H,6,8-9H2,1-5H3.
What are the key properties of methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 66498652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).