N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide

C20H18F3N3O — CID 73056183

IUPACN-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(N)c2cc(NC(=O)CCc3ccccc3C(F)(F)F)ccc2n1
InChIInChI=1S/C20H18F3N3O/c1-12-10-17(24)15-11-14(7-8-18(15)25-12)26-19(27)9-6-13-4-2-3-5-16(13)20(21,22)23/h2-5,7-8,10-11H,6,9H2,1H3,(H2,24,25)(H,26,27)
InChIKeyHOFPMWLVJOCYDY-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.72
Rot. Bonds4

About N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide

N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 73056183) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID73056183
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(N)c2cc(NC(=O)CCc3ccccc3C(F)(F)F)ccc2n1
InChIInChI=1S/C20H18F3N3O/c1-12-10-17(24)15-11-14(7-8-18(15)25-12)26-19(27)9-6-13-4-2-3-5-16(13)20(21,22)23/h2-5,7-8,10-11H,6,9H2,1H3,(H2,24,25)(H,26,27)
InChIKeyHOFPMWLVJOCYDY-UHFFFAOYSA-N
XLogP4.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide (CID 73056183) is N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide is Cc1cc(N)c2cc(NC(=O)CCc3ccccc3C(F)(F)F)ccc2n1.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HOFPMWLVJOCYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-12-10-17(24)15-11-14(7-8-18(15)25-12)26-19(27)9-6-13-4-2-3-5-16(13)20(21,22)23/h2-5,7-8,10-11H,6,9H2,1H3,(H2,24,25)(H,26,27).
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide?
N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 373.38 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 73056183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).