methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate

C20H22N2O4 — CID 66666855

IUPACmethyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccc(OC(C)CC(=O)N(C)C)cc2n2ccccc12
InChIInChI=1S/C20H22N2O4/c1-13(11-18(23)21(2)3)26-14-8-9-15-17(12-14)22-10-6-5-7-16(22)19(15)20(24)25-4/h5-10,12-13H,11H2,1-4H3
InChIKeyOSQKNMHTJLIJQT-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.12
Rot. Bonds5

About methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate

methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate (PubChem CID 66666855) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
PubChem CID66666855
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccc(OC(C)CC(=O)N(C)C)cc2n2ccccc12
InChIInChI=1S/C20H22N2O4/c1-13(11-18(23)21(2)3)26-14-8-9-15-17(12-14)22-10-6-5-7-16(22)19(15)20(24)25-4/h5-10,12-13H,11H2,1-4H3
InChIKeyOSQKNMHTJLIJQT-UHFFFAOYSA-N
XLogP3.12
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate with MolForge

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Related Compounds

methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 56644027
methyl 3-(1-cyanoethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667840
methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate
CID 66667553
methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667086
propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666599
ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56645067
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]pyrido[1,2-a]indole-10-carboxylate
CID 66666905
(10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate
CID 56645538
3-methoxypyrido[1,2-a]indole-10-carboxamide
CID 56645534
ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56644234
ethyl 3-[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethoxy]pyrido[1,2-a]indole-10-carboxylate
CID 3717941
methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate
CID 66668012

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate (CID 66666855) is methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate is COC(=O)c1c2ccc(OC(C)CC(=O)N(C)C)cc2n2ccccc12.
What is the InChIKey of methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
The InChIKey is OSQKNMHTJLIJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(11-18(23)21(2)3)26-14-8-9-15-17(12-14)22-10-6-5-7-16(22)19(15)20(24)25-4/h5-10,12-13H,11H2,1-4H3.
What are the key properties of methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66666855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).