methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate

C18H18N2O4 — CID 66667086

IUPACmethyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccccc2n2cc(OC(C)CC(N)=O)ccc12
InChIInChI=1S/C18H18N2O4/c1-11(9-16(19)21)24-12-7-8-15-17(18(22)23-2)13-5-3-4-6-14(13)20(15)10-12/h3-8,10-11H,9H2,1-2H3,(H2,19,21)
InChIKeyXYKYGUJBRORJEM-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.52
Rot. Bonds5

About methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate

methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667086) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namemethyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
PubChem CID66667086
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccccc2n2cc(OC(C)CC(N)=O)ccc12
InChIInChI=1S/C18H18N2O4/c1-11(9-16(19)21)24-12-7-8-15-17(18(22)23-2)13-5-3-4-6-14(13)20(15)10-12/h3-8,10-11H,9H2,1-2H3,(H2,19,21)
InChIKeyXYKYGUJBRORJEM-UHFFFAOYSA-N
XLogP2.52
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate with MolForge

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Related Compounds

propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666986
propyl 7-(5,5,5-trifluoro-4-oxopentan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667848
methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
CID 66667117
methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666855
7-(1-cyanopropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylic acid
CID 123477729
methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 56644027
methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667573
ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666885
methyl 7-(2-methylsulfinylacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667983
propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666595
methyl 7-(2-chloroethylsulfinyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667495
methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667770

Frequently Asked Questions

What is the IUPAC name of methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate (CID 66667086) is methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate is COC(=O)c1c2ccccc2n2cc(OC(C)CC(N)=O)ccc12.
What is the InChIKey of methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate?
The InChIKey is XYKYGUJBRORJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11(9-16(19)21)24-12-7-8-15-17(18(22)23-2)13-5-3-4-6-14(13)20(15)10-12/h3-8,10-11H,9H2,1-2H3,(H2,19,21).
What are the key properties of methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate?
methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).