methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate

C30H33N3O7 — CID 171801742

IUPACmethyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c(=O)n(Cc3ccc4cc(COC5CCCCO5)n(C(=O)OC(C)(C)C)c4c3)ccc12
InChIInChI=1S/C30H33N3O7/c1-30(2,3)40-29(36)33-21(18-39-26-7-5-6-12-38-26)14-20-9-8-19(13-25(20)33)17-32-11-10-22-23(27(32)34)15-31-16-24(22)28(35)37-4/h8-11,13-16,26H,5-7,12,17-18H2,1-4H3
InChIKeyBFQBUUDIQOXOOA-UHFFFAOYSA-N
MW547.61 g/mol
LogP5.01
Rot. Bonds6

About methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate

methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate (PubChem CID 171801742) has the molecular formula C30H33N3O7 and a molecular weight of 547.61 g/mol. Its IUPAC name is methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate
PubChem CID171801742
Molecular FormulaC30H33N3O7
Molecular Weight547.61 g/mol
Exact Mass547.23
IUPAC Namemethyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c(=O)n(Cc3ccc4cc(COC5CCCCO5)n(C(=O)OC(C)(C)C)c4c3)ccc12
InChIInChI=1S/C30H33N3O7/c1-30(2,3)40-29(36)33-21(18-39-26-7-5-6-12-38-26)14-20-9-8-19(13-25(20)33)17-32-11-10-22-23(27(32)34)15-31-16-24(22)28(35)37-4/h8-11,13-16,26H,5-7,12,17-18H2,1-4H3
InChIKeyBFQBUUDIQOXOOA-UHFFFAOYSA-N
XLogP5.01
TPSA110.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.61
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate with MolForge

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Related Compounds

1-O-tert-butyl 6-O-methyl 2-[2-(oxan-2-yloxy)ethyl]indole-1,6-dicarboxylate
CID 171801666
tert-butyl 6-[[4-[6-amino-1-(oxan-2-yl)indazol-4-yl]triazol-1-yl]methyl]-2-[[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methylamino]methyl]indole-1-carboxylate
CID 171084215
tert-butyl 6-[[4-[6-amino-1-(oxan-2-yl)indazol-4-yl]triazol-1-yl]methyl]-2-(6-azaspiro[3.4]octan-6-ylmethyl)indole-1-carboxylate
CID 171084330
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
CID 10022408
tert-butyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 173279486
methyl 3-[(4-methoxyphenyl)methyl]-5-(oxan-2-yloxymethyl)triazole-4-carboxylate
CID 67023050
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one
CID 171801739
tert-butyl N-(cyclobutylmethyl)-N-[[6-[(5-ethynyl-1-oxo-2,7-naphthyridin-2-yl)methyl]-1H-indol-2-yl]methyl]carbamate
CID 171801795
tert-butyl 2-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-[[4-(5-pyrrol-1-yl-3-pyridinyl)triazol-1-yl]methyl]indole-1-carboxylate
CID 171084382
ethane;1-(4-ethylphenyl)-5-(oxan-2-yloxymethyl)triazole
CID 145305024
methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 66501613

Frequently Asked Questions

What is the IUPAC name of methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate (CID 171801742) is methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate is COC(=O)c1cncc2c(=O)n(Cc3ccc4cc(COC5CCCCO5)n(C(=O)OC(C)(C)C)c4c3)ccc12.
What is the InChIKey of methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate?
The InChIKey is BFQBUUDIQOXOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O7/c1-30(2,3)40-29(36)33-21(18-39-26-7-5-6-12-38-26)14-20-9-8-19(13-25(20)33)17-32-11-10-22-23(27(32)34)15-31-16-24(22)28(35)37-4/h8-11,13-16,26H,5-7,12,17-18H2,1-4H3.
What are the key properties of methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate?
methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate has a molecular weight of 547.61 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxan-2-yloxymethyl)indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 171801742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).