3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate

C22H23N3O6 — CID 10310098

IUPAC3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate
SMILESCOC(=O)Nc1c(-c2cccc(OCCCOC(C)=O)c2)c2cccnc2n(C)c1=O
InChIInChI=1S/C22H23N3O6/c1-14(26)30-11-6-12-31-16-8-4-7-15(13-16)18-17-9-5-10-23-20(17)25(2)21(27)19(18)24-22(28)29-3/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,24,28)
InChIKeyJXGNPBQTVSPRFZ-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.11
Rot. Bonds7

About 3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate

3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate (PubChem CID 10310098) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate.

Molecular Properties

Compound Name3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate
PubChem CID10310098
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate
SMILESCOC(=O)Nc1c(-c2cccc(OCCCOC(C)=O)c2)c2cccnc2n(C)c1=O
InChIInChI=1S/C22H23N3O6/c1-14(26)30-11-6-12-31-16-8-4-7-15(13-16)18-17-9-5-10-23-20(17)25(2)21(27)19(18)24-22(28)29-3/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,24,28)
InChIKeyJXGNPBQTVSPRFZ-UHFFFAOYSA-N
XLogP3.11
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea
CID 22106230
3-[3-[2-oxo-3-(phenoxycarbonylamino)-1-propyl-1,8-naphthyridin-4-yl]phenoxy]propyl propanoate
CID 139948244
3-[3-[2-oxo-3-(phenoxycarbonylamino)-1-propyl-1,8-naphthyridin-4-yl]phenoxy]propyl benzoate
CID 139948186
3-[3-[1-ethyl-2-oxo-3-(phenoxycarbonylamino)-1,8-naphthyridin-4-yl]phenoxy]propyl benzoate
CID 139948181
1-butyl-3-[1-methyl-2-oxo-4-(3-phenylmethoxyphenyl)-1,8-naphthyridin-3-yl]urea
CID 22106058
3-[3-[1-ethyl-2-oxo-3-(propan-2-yloxycarbonylamino)-1,8-naphthyridin-4-yl]phenoxy]propyl 2,2-dimethylpropanoate
CID 139948248
N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide
CID 22106238
phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate
CID 139924711
1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea
CID 22106152
1-(4-amino-2,6-dimethylphenyl)-3-[1-ethyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea
CID 139948279
1-[1-butyl-4-[3-[3-(methylamino)propoxy]phenyl]-2-oxo-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 22105929
1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-(2,4,6-trimethoxyphenyl)urea
CID 139946697

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate?
The IUPAC name of 3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate (CID 10310098) is 3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate.
What is the SMILES notation for 3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate?
The canonical SMILES for 3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate is COC(=O)Nc1c(-c2cccc(OCCCOC(C)=O)c2)c2cccnc2n(C)c1=O.
What is the InChIKey of 3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate?
The InChIKey is JXGNPBQTVSPRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-14(26)30-11-6-12-31-16-8-4-7-15(13-16)18-17-9-5-10-23-20(17)25(2)21(27)19(18)24-22(28)29-3/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,24,28).
What are the key properties of 3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate?
3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate has a molecular weight of 425.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate is sourced from PubChem (CID 10310098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).