6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid

C19H18N2O3 — CID 102152725

IUPAC6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid
SMILESCN(C)c1ccc2nc(C(=O)O)cc(OCc3ccccc3)c2c1
InChIInChI=1S/C19H18N2O3/c1-21(2)14-8-9-16-15(10-14)18(11-17(20-16)19(22)23)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyMSQPOFQPMJAWFO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.58
Rot. Bonds5

About 6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid

6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid (PubChem CID 102152725) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid
PubChem CID102152725
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid
SMILESCN(C)c1ccc2nc(C(=O)O)cc(OCc3ccccc3)c2c1
InChIInChI=1S/C19H18N2O3/c1-21(2)14-8-9-16-15(10-14)18(11-17(20-16)19(22)23)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyMSQPOFQPMJAWFO-UHFFFAOYSA-N
XLogP3.58
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
phenyl-(4-phenylmethoxyquinolin-2-yl)methanone
CID 21478950
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
5-(dimethylamino)-2-phenylmethoxybenzamide
CID 141273591
6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid
CID 11483742
4-(2-carboxyethoxy)quinoline-2-carboxylic acid
CID 15166978
4-(3-methoxypropoxy)quinoline-2-carboxylic acid
CID 55184879
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 166479827
4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid
CID 11233526
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077
3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409625
4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid
CID 82220105

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid (CID 102152725) is 6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid is CN(C)c1ccc2nc(C(=O)O)cc(OCc3ccccc3)c2c1.
What is the InChIKey of 6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid?
The InChIKey is MSQPOFQPMJAWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-21(2)14-8-9-16-15(10-14)18(11-17(20-16)19(22)23)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of 6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid?
6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 102152725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).