1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone

C20H17F3N2O2 — CID 11122302

IUPAC1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone
SMILESCc1nc2ccccc2c(N)c1COCc1cccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O2/c1-12-16(18(24)15-7-2-3-8-17(15)25-12)11-27-10-13-5-4-6-14(9-13)19(26)20(21,22)23/h2-9H,10-11H2,1H3,(H2,24,25)
InChIKeyNCYVOMWFZQBIFF-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.59
Rot. Bonds5

About 1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone

1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone (PubChem CID 11122302) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone
PubChem CID11122302
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone
SMILESCc1nc2ccccc2c(N)c1COCc1cccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O2/c1-12-16(18(24)15-7-2-3-8-17(15)25-12)11-27-10-13-5-4-6-14(9-13)19(26)20(21,22)23/h2-9H,10-11H2,1H3,(H2,24,25)
InChIKeyNCYVOMWFZQBIFF-UHFFFAOYSA-N
XLogP4.59
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone (CID 11122302) is 1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone is Cc1nc2ccccc2c(N)c1COCc1cccc(C(=O)C(F)(F)F)c1.
What is the InChIKey of 1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone?
The InChIKey is NCYVOMWFZQBIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-12-16(18(24)15-7-2-3-8-17(15)25-12)11-27-10-13-5-4-6-14(9-13)19(26)20(21,22)23/h2-9H,10-11H2,1H3,(H2,24,25).
What are the key properties of 1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone?
1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone has a molecular weight of 374.36 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-amino-2-methylquinolin-3-yl)methoxymethyl]phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 11122302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).