methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate

C19H18N2O4 — CID 66653263

IUPACmethyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate
SMILESCOC(=O)c1cc(C(=O)c2c(C)c(OC)c3ccccn23)ccc1N
InChIInChI=1S/C19H18N2O4/c1-11-16(21-9-5-4-6-15(21)18(11)24-2)17(22)12-7-8-14(20)13(10-12)19(23)25-3/h4-10H,20H2,1-3H3
InChIKeyFNOVTGGTFWOHLE-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate

methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate (PubChem CID 66653263) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate
PubChem CID66653263
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate
SMILESCOC(=O)c1cc(C(=O)c2c(C)c(OC)c3ccccn23)ccc1N
InChIInChI=1S/C19H18N2O4/c1-11-16(21-9-5-4-6-15(21)18(11)24-2)17(22)12-7-8-14(20)13(10-12)19(23)25-3/h4-10H,20H2,1-3H3
InChIKeyFNOVTGGTFWOHLE-UHFFFAOYSA-N
XLogP2.86
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate?
The IUPAC name of methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate (CID 66653263) is methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate.
What is the SMILES notation for methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate?
The canonical SMILES for methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate is COC(=O)c1cc(C(=O)c2c(C)c(OC)c3ccccn23)ccc1N.
What is the InChIKey of methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate?
The InChIKey is FNOVTGGTFWOHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-16(21-9-5-4-6-15(21)18(11)24-2)17(22)12-7-8-14(20)13(10-12)19(23)25-3/h4-10H,20H2,1-3H3.
What are the key properties of methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate?
methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate has a molecular weight of 338.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate is sourced from PubChem (CID 66653263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).