2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid

C19H14N2O3 — CID 126751054

IUPAC2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3nc4ccccc4o3)cc(C(=O)O)c2c1
InChIInChI=1S/C19H14N2O3/c1-10-7-11(2)17-12(8-10)13(19(22)23)9-15(20-17)18-21-14-5-3-4-6-16(14)24-18/h3-9H,1-2H3,(H,22,23)
InChIKeyMMVGAHICIBZWIQ-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.36
Rot. Bonds2

About 2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid

2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid (PubChem CID 126751054) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
PubChem CID126751054
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3nc4ccccc4o3)cc(C(=O)O)c2c1
InChIInChI=1S/C19H14N2O3/c1-10-7-11(2)17-12(8-10)13(19(22)23)9-15(20-17)18-21-14-5-3-4-6-16(14)24-18/h3-9H,1-2H3,(H,22,23)
InChIKeyMMVGAHICIBZWIQ-UHFFFAOYSA-N
XLogP4.36
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 104653273
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 997473
2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 3895723
6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5258869
2-[9-(1,3-benzoxazol-2-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-1,3-benzoxazole
CID 148810325
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-[4-(5-formylfuran-2-yl)phenyl]-6,8-dimethylquinoline-4-carboxylic acid
CID 169333799
N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
2-(4-butoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 25218882

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid (CID 126751054) is 2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid is Cc1cc(C)c2nc(-c3nc4ccccc4o3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The InChIKey is MMVGAHICIBZWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-10-7-11(2)17-12(8-10)13(19(22)23)9-15(20-17)18-21-14-5-3-4-6-16(14)24-18/h3-9H,1-2H3,(H,22,23).
What are the key properties of 2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 126751054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).