3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid

C20H20N2O3 — CID 170530658

IUPAC3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid
SMILESCCN(CC)c1ccc(C(=O)c2cc(C(=O)O)c3ccccn23)cc1
InChIInChI=1S/C20H20N2O3/c1-3-21(4-2)15-10-8-14(9-11-15)19(23)18-13-16(20(24)25)17-7-5-6-12-22(17)18/h5-13H,3-4H2,1-2H3,(H,24,25)
InChIKeyFORNDVUYJDFPKF-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.71
Rot. Bonds6

About 3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid

3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid (PubChem CID 170530658) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid
PubChem CID170530658
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid
SMILESCCN(CC)c1ccc(C(=O)c2cc(C(=O)O)c3ccccn23)cc1
InChIInChI=1S/C20H20N2O3/c1-3-21(4-2)15-10-8-14(9-11-15)19(23)18-13-16(20(24)25)17-7-5-6-12-22(17)18/h5-13H,3-4H2,1-2H3,(H,24,25)
InChIKeyFORNDVUYJDFPKF-UHFFFAOYSA-N
XLogP3.71
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone
CID 170222441
3-benzoylindolizine-1-carboxylic acid
CID 71356515
3-benzoyl-7-methylindolizine-1-carboxylic acid
CID 118724660
7-acetyl-3-benzoylindolizine-1-carboxylic acid
CID 170530657
methyl 3-(4-methylbenzoyl)indolizine-1-carboxylate
CID 51056212
3-benzoyl-N-prop-2-ynylindolizine-1-carboxamide
CID 118724663
3-(4-methoxybenzoyl)-N-phenylindolizine-1-carboxamide
CID 132502558
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
(1-benzoyl-7-methylindolizin-3-yl)-phenylmethanone
CID 10664811
1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
CID 151104618

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid?
The IUPAC name of 3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid (CID 170530658) is 3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid.
What is the SMILES notation for 3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid?
The canonical SMILES for 3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid is CCN(CC)c1ccc(C(=O)c2cc(C(=O)O)c3ccccn23)cc1.
What is the InChIKey of 3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid?
The InChIKey is FORNDVUYJDFPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-21(4-2)15-10-8-14(9-11-15)19(23)18-13-16(20(24)25)17-7-5-6-12-22(17)18/h5-13H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid?
3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid is sourced from PubChem (CID 170530658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).