2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde

C17H14ClNO2 — CID 3697846

IUPAC2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
SMILESCOc1ccc(-c2cc3cc(C)ccn3c2C=O)cc1Cl
InChIInChI=1S/C17H14ClNO2/c1-11-5-6-19-13(7-11)9-14(16(19)10-20)12-3-4-17(21-2)15(18)8-12/h3-10H,1-2H3
InChIKeyJIJGHZRWCXMROX-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.39
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde

2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde (PubChem CID 3697846) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
PubChem CID3697846
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
SMILESCOc1ccc(-c2cc3cc(C)ccn3c2C=O)cc1Cl
InChIInChI=1S/C17H14ClNO2/c1-11-5-6-19-13(7-11)9-14(16(19)10-20)12-3-4-17(21-2)15(18)8-12/h3-10H,1-2H3
InChIKeyJIJGHZRWCXMROX-UHFFFAOYSA-N
XLogP4.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3786843
2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3733875
2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3821498
7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde
CID 3761095
2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde
CID 4220459
2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3753661
7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3837589
2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
CID 3651046
2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde
CID 4680448
2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 5196502
2-(3,5-ditert-butyl-4-ethoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3794557
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde (CID 3697846) is 2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde is COc1ccc(-c2cc3cc(C)ccn3c2C=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde?
The InChIKey is JIJGHZRWCXMROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-11-5-6-19-13(7-11)9-14(16(19)10-20)12-3-4-17(21-2)15(18)8-12/h3-10H,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde?
2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde has a molecular weight of 299.76 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3697846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).