8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid

C26H21N3O3 — CID 129027760

IUPAC8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid
SMILESCc1cc2cnccn2c1-c1cc(C(=O)O)c2c(OCc3ccccc3)ccc(C)c2n1
InChIInChI=1S/C26H21N3O3/c1-16-8-9-22(32-15-18-6-4-3-5-7-18)23-20(26(30)31)13-21(28-24(16)23)25-17(2)12-19-14-27-10-11-29(19)25/h3-14H,15H2,1-2H3,(H,30,31)
InChIKeyGWARKRXUBXWLHQ-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.44
Rot. Bonds5

About 8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid

8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid (PubChem CID 129027760) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid
PubChem CID129027760
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid
SMILESCc1cc2cnccn2c1-c1cc(C(=O)O)c2c(OCc3ccccc3)ccc(C)c2n1
InChIInChI=1S/C26H21N3O3/c1-16-8-9-22(32-15-18-6-4-3-5-7-18)23-20(26(30)31)13-21(28-24(16)23)25-17(2)12-19-14-27-10-11-29(19)25/h3-14H,15H2,1-2H3,(H,30,31)
InChIKeyGWARKRXUBXWLHQ-UHFFFAOYSA-N
XLogP5.44
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-dimethylindolizin-3-yl)-8-methyl-5-phenylmethoxyquinoline-4-carboxylic acid
CID 129027759
8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(3-methylphenyl)methoxy]quinoline-4-carboxylic acid
CID 129027767
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-butoxy-8-methyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid
CID 129028022
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
CID 7139641
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
CID 66989978
2-(1-benzothiophen-3-yl)-5-butoxy-8-methylquinoline-4-carboxylic acid
CID 129027713
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
2-bromo-5-methyl-4-phenylmethoxybenzoic acid
CID 151110927
methyl 8-ethyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinoline-4-carboxylate
CID 126751106
8-methyl-2-(1-methylbenzimidazol-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid
CID 129027681

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid?
The IUPAC name of 8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid (CID 129027760) is 8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid?
The canonical SMILES for 8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid is Cc1cc2cnccn2c1-c1cc(C(=O)O)c2c(OCc3ccccc3)ccc(C)c2n1.
What is the InChIKey of 8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid?
The InChIKey is GWARKRXUBXWLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-16-8-9-22(32-15-18-6-4-3-5-7-18)23-20(26(30)31)13-21(28-24(16)23)25-17(2)12-19-14-27-10-11-29(19)25/h3-14H,15H2,1-2H3,(H,30,31).
What are the key properties of 8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid?
8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid has a molecular weight of 423.47 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)-5-phenylmethoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 129027760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).