3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid

C24H23N3O3 — CID 58476233

IUPAC3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C24H23N3O3/c1-24(2)14-17-13-16(23(29)30)8-11-19(17)27-21(24)15-6-9-18(10-7-15)26-22(28)20-5-3-4-12-25-20/h3-13,21,27H,14H2,1-2H3,(H,26,28)(H,29,30)
InChIKeySXIFQFJMJVXMQX-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.77
Rot. Bonds4

About 3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid

3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid (PubChem CID 58476233) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
PubChem CID58476233
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C24H23N3O3/c1-24(2)14-17-13-16(23(29)30)8-11-19(17)27-21(24)15-6-9-18(10-7-15)26-22(28)20-5-3-4-12-25-20/h3-13,21,27H,14H2,1-2H3,(H,26,28)(H,29,30)
InChIKeySXIFQFJMJVXMQX-UHFFFAOYSA-N
XLogP4.77
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The IUPAC name of 3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid (CID 58476233) is 3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid is CC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of 3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The InChIKey is SXIFQFJMJVXMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-24(2)14-17-13-16(23(29)30)8-11-19(17)27-21(24)15-6-9-18(10-7-15)26-22(28)20-5-3-4-12-25-20/h3-13,21,27H,14H2,1-2H3,(H,26,28)(H,29,30).
What are the key properties of 3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid?
3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid has a molecular weight of 401.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 58476233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).