5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide

C21H22N4O3 — CID 55632538

IUPAC5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
SMILESCOc1cccc2c1N(C(=O)C1=NN(c3ccccc3)C(C(N)=O)C1)CCC2
InChIInChI=1S/C21H22N4O3/c1-28-18-11-5-7-14-8-6-12-24(19(14)18)21(27)16-13-17(20(22)26)25(23-16)15-9-3-2-4-10-15/h2-5,7,9-11,17H,6,8,12-13H2,1H3,(H2,22,26)
InChIKeyBJOZTYKXDQPTOF-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.09
Rot. Bonds4

About 5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide

5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide (PubChem CID 55632538) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
PubChem CID55632538
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
SMILESCOc1cccc2c1N(C(=O)C1=NN(c3ccccc3)C(C(N)=O)C1)CCC2
InChIInChI=1S/C21H22N4O3/c1-28-18-11-5-7-14-8-6-12-24(19(14)18)21(27)16-13-17(20(22)26)25(23-16)15-9-3-2-4-10-15/h2-5,7,9-11,17H,6,8,12-13H2,1H3,(H2,22,26)
InChIKeyBJOZTYKXDQPTOF-UHFFFAOYSA-N
XLogP2.09
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of 5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide (CID 55632538) is 5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for 5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide is COc1cccc2c1N(C(=O)C1=NN(c3ccccc3)C(C(N)=O)C1)CCC2.
What is the InChIKey of 5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is BJOZTYKXDQPTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-18-11-5-7-14-8-6-12-24(19(14)18)21(27)16-13-17(20(22)26)25(23-16)15-9-3-2-4-10-15/h2-5,7,9-11,17H,6,8,12-13H2,1H3,(H2,22,26).
What are the key properties of 5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 55632538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).