N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide

C25H22N2O — CID 1010609

IUPACN-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide
SMILESCc1ccc2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2n1
InChIInChI=1S/C25H22N2O/c1-18-15-16-21-13-8-14-23(25(21)26-18)27-24(28)17-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-16,22H,17H2,1H3,(H,27,28)
InChIKeyURCVVXWRRVBIIO-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.70
Rot. Bonds5

About N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide

N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide (PubChem CID 1010609) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide
PubChem CID1010609
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC NameN-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide
SMILESCc1ccc2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2n1
InChIInChI=1S/C25H22N2O/c1-18-15-16-21-13-8-14-23(25(21)26-18)27-24(28)17-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-16,22H,17H2,1H3,(H,27,28)
InChIKeyURCVVXWRRVBIIO-UHFFFAOYSA-N
XLogP5.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide?
The IUPAC name of N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide (CID 1010609) is N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide is Cc1ccc2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2n1.
What is the InChIKey of N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide?
The InChIKey is URCVVXWRRVBIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-18-15-16-21-13-8-14-23(25(21)26-18)27-24(28)17-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-16,22H,17H2,1H3,(H,27,28).
What are the key properties of N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide?
N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide has a molecular weight of 366.46 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-8-yl)-3,3-diphenylpropanamide is sourced from PubChem (CID 1010609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).