2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid

C28H24N2O3 — CID 129027759

IUPAC2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid
SMILESCc1c(C)c2ccccn2c1-c1cc(C(=O)O)c2c(OCc3ccccc3)ccc(C)c2n1
InChIInChI=1S/C28H24N2O3/c1-17-12-13-24(33-16-20-9-5-4-6-10-20)25-21(28(31)32)15-22(29-26(17)25)27-19(3)18(2)23-11-7-8-14-30(23)27/h4-15H,16H2,1-3H3,(H,31,32)
InChIKeyGXNPNPDDRBHULY-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.36
Rot. Bonds5

About 2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid

2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid (PubChem CID 129027759) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid
PubChem CID129027759
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid
SMILESCc1c(C)c2ccccn2c1-c1cc(C(=O)O)c2c(OCc3ccccc3)ccc(C)c2n1
InChIInChI=1S/C28H24N2O3/c1-17-12-13-24(33-16-20-9-5-4-6-10-20)25-21(28(31)32)15-22(29-26(17)25)27-19(3)18(2)23-11-7-8-14-30(23)27/h4-15H,16H2,1-3H3,(H,31,32)
InChIKeyGXNPNPDDRBHULY-UHFFFAOYSA-N
XLogP6.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid
CID 129027760
8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(3-methylphenyl)methoxy]quinoline-4-carboxylic acid
CID 129027767
5-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid
CID 129028022
8-methyl-2-(1-methylbenzimidazol-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid
CID 129027681
2-[4-[2-[4-carboxy-8-methyl-5-(pyridin-3-ylmethoxy)quinolin-2-yl]-3-methyl-1-benzofuran-4-yl]-3-methyl-1-benzofuran-2-yl]-5-ethyl-8-methylquinoline-4-carboxylic acid
CID 146345324
5-[(2-cyanophenyl)methoxy]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid
CID 126750883
5-[(4-fluorophenyl)methoxy]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-N-oxoquinoline-4-carboxamide
CID 129028039
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-(1-benzothiophen-3-yl)-5-butoxy-8-methylquinoline-4-carboxylic acid
CID 129027713
5-methoxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 140923725
2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid
CID 4518070
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid (CID 129027759) is 2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid is Cc1c(C)c2ccccn2c1-c1cc(C(=O)O)c2c(OCc3ccccc3)ccc(C)c2n1.
What is the InChIKey of 2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid?
The InChIKey is GXNPNPDDRBHULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-17-12-13-24(33-16-20-9-5-4-6-10-20)25-21(28(31)32)15-22(29-26(17)25)27-19(3)18(2)23-11-7-8-14-30(23)27/h4-15H,16H2,1-3H3,(H,31,32).
What are the key properties of 2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid?
2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid has a molecular weight of 436.51 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 129027759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).