methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate

C16H13NO4 — CID 66667573

IUPACmethyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccccc2n2cc(C(=O)CO)ccc12
InChIInChI=1S/C16H13NO4/c1-21-16(20)15-11-4-2-3-5-12(11)17-8-10(14(19)9-18)6-7-13(15)17/h2-8,18H,9H2,1H3
InChIKeyFIVZDHYWOVJPTA-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.05
Rot. Bonds3

About methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate

methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667573) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate
PubChem CID66667573
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Namemethyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccccc2n2cc(C(=O)CO)ccc12
InChIInChI=1S/C16H13NO4/c1-21-16(20)15-11-4-2-3-5-12(11)17-8-10(14(19)9-18)6-7-13(15)17/h2-8,18H,9H2,1H3
InChIKeyFIVZDHYWOVJPTA-UHFFFAOYSA-N
XLogP2.05
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-(2-methylsulfinylacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667983
methyl 7-(2-morpholin-4-ylacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667489
methyl 7-(morpholine-4-carbonyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667084
methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
CID 66667117
2-(dimethylamino)ethyl 7-(3-methoxypropanoyl)pyrido[1,2-a]indole-10-carboxylate
CID 66666818
methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667770
methyl 7-(2-chloroethylsulfinyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667495
methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667086
methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307
7-acetyl-N-[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-10-carboxamide
CID 66666858
ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
CID 66667458
dimethyl anthracene-9,10-dicarboxylate
CID 139057809

Frequently Asked Questions

What is the IUPAC name of methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate (CID 66667573) is methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate is COC(=O)c1c2ccccc2n2cc(C(=O)CO)ccc12.
What is the InChIKey of methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is FIVZDHYWOVJPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-21-16(20)15-11-4-2-3-5-12(11)17-8-10(14(19)9-18)6-7-13(15)17/h2-8,18H,9H2,1H3.
What are the key properties of methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate?
methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).