methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate

C17H14ClNO3 — CID 101440255

IUPACmethyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)cn2c(Cl)cccc12
InChIInChI=1S/C17H14ClNO3/c1-21-12-8-6-11(7-9-12)13-10-19-14(4-3-5-15(19)18)16(13)17(20)22-2/h3-10H,1-2H3
InChIKeyFHVWVANGRGVPHW-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.05
Rot. Bonds3

About methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate

methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate (PubChem CID 101440255) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate
PubChem CID101440255
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Namemethyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)cn2c(Cl)cccc12
InChIInChI=1S/C17H14ClNO3/c1-21-12-8-6-11(7-9-12)13-10-19-14(4-3-5-15(19)18)16(13)17(20)22-2/h3-10H,1-2H3
InChIKeyFHVWVANGRGVPHW-UHFFFAOYSA-N
XLogP4.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-chlorophenyl)indolizine-1-carboxylate
CID 122364002
methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 135397067
methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate
CID 102035727
methyl 2,5-dimethylindolizine-1-carboxylate
CID 121000758
methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
CID 101390066
dimethyl 3,4-bis(4-methoxyphenyl)pyrrole-1,2-dicarboxylate
CID 102146258
methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate
CID 71559881
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate
CID 177480040
methyl 2-[(2-chlorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 2241799
ethyl 7-chloro-2-(4-methoxyphenyl)-4-oxopyrrolo[2,1-c][1,4]benzoxazine-3-carboxylate
CID 122385790
2-(4-methoxyphenyl)-1-methyl-4-phenylpyrrole-3-carboxylic acid
CID 3730701

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate?
The IUPAC name of methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate (CID 101440255) is methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate?
The canonical SMILES for methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate is COC(=O)c1c(-c2ccc(OC)cc2)cn2c(Cl)cccc12.
What is the InChIKey of methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate?
The InChIKey is FHVWVANGRGVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-21-12-8-6-11(7-9-12)13-10-19-14(4-3-5-15(19)18)16(13)17(20)22-2/h3-10H,1-2H3.
What are the key properties of methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate?
methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate has a molecular weight of 315.76 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate is sourced from PubChem (CID 101440255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).