methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate

C18H20N2O3 — CID 66667553

IUPACmethyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccc(C(O)CN(C)C)cc2n2ccccc12
InChIInChI=1S/C18H20N2O3/c1-19(2)11-16(21)12-7-8-13-15(10-12)20-9-5-4-6-14(20)17(13)18(22)23-3/h4-10,16,21H,11H2,1-3H3
InChIKeyRYDFJVHMQGNFNV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.47
Rot. Bonds4

About methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate

methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667553) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate
PubChem CID66667553
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2ccc(C(O)CN(C)C)cc2n2ccccc12
InChIInChI=1S/C18H20N2O3/c1-19(2)11-16(21)12-7-8-13-15(10-12)20-9-5-4-6-14(20)17(13)18(22)23-3/h4-10,16,21H,11H2,1-3H3
InChIKeyRYDFJVHMQGNFNV-UHFFFAOYSA-N
XLogP2.47
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate (CID 66667553) is methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate is COC(=O)c1c2ccc(C(O)CN(C)C)cc2n2ccccc12.
What is the InChIKey of methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is RYDFJVHMQGNFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-19(2)11-16(21)12-7-8-13-15(10-12)20-9-5-4-6-14(20)17(13)18(22)23-3/h4-10,16,21H,11H2,1-3H3.
What are the key properties of methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate?
methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)-1-hydroxyethyl]pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).