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

C20H23N3O4 — CID 56644027

IUPACmethyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccc(OC(CC(N)=O)CN(C)C)cc2n2ccccc12
InChIInChI=1S/C20H23N3O4/c1-22(2)12-14(11-18(21)24)27-13-7-8-15-17(10-13)23-9-5-4-6-16(23)19(15)20(25)26-3/h4-10,14H,11-12H2,1-3H3,(H2,21,24)
InChIKeyAWVLDQCASWGOTO-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.06
Rot. Bonds7

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

methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate (PubChem CID 56644027) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
PubChem CID56644027
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccc(OC(CC(N)=O)CN(C)C)cc2n2ccccc12
InChIInChI=1S/C20H23N3O4/c1-22(2)12-14(11-18(21)24)27-13-7-8-15-17(10-13)23-9-5-4-6-16(23)19(15)20(25)26-3/h4-10,14H,11-12H2,1-3H3,(H2,21,24)
InChIKeyAWVLDQCASWGOTO-UHFFFAOYSA-N
XLogP2.06
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666855
methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate
CID 66667553
methyl 3-(1-cyanoethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667840
methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667086
3-methoxypyrido[1,2-a]indole-10-carboxamide
CID 56645534
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
propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666599
ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666885
ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56644234
2-(dimethylamino)ethyl 3-(4-methoxybutanoyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667334

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate (CID 56644027) is methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate is COC(=O)c1c2ccc(OC(CC(N)=O)CN(C)C)cc2n2ccccc12.
What is the InChIKey of methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
The InChIKey is AWVLDQCASWGOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-22(2)12-14(11-18(21)24)27-13-7-8-15-17(10-13)23-9-5-4-6-16(23)19(15)20(25)26-3/h4-10,14H,11-12H2,1-3H3,(H2,21,24).
What are the key properties of methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate?
methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 56644027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).