N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide

C20H19F3N2O3 — CID 169416972

IUPACN-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-3-18(26)25-16-8-14-13(9-19(27)24-15(14)10-17(16)28-2)11-4-6-12(7-5-11)20(21,22)23/h4-8,10,13H,3,9H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyXUCOVRTUJQCNOD-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.54
Rot. Bonds4

About N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide

N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide (PubChem CID 169416972) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide
PubChem CID169416972
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-3-18(26)25-16-8-14-13(9-19(27)24-15(14)10-17(16)28-2)11-4-6-12(7-5-11)20(21,22)23/h4-8,10,13H,3,9H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyXUCOVRTUJQCNOD-UHFFFAOYSA-N
XLogP4.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6,7-dimethoxy-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 1045745
N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169410752
6,7-dimethoxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 2962899
N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 171912632
N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 50982799
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
2-methoxy-N-[6-methoxy-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169420804
N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
CID 95147744
4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2964923
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483
N-[4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide
CID 50963632
N-[4-(2-chloro-6-fluorophenyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxyacetamide
CID 169416411

Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide?
The IUPAC name of N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide (CID 169416972) is N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide.
What is the SMILES notation for N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide?
The canonical SMILES for N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide is CCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide?
The InChIKey is XUCOVRTUJQCNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-3-18(26)25-16-8-14-13(9-19(27)24-15(14)10-17(16)28-2)11-4-6-12(7-5-11)20(21,22)23/h4-8,10,13H,3,9H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide?
N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide has a molecular weight of 392.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide is sourced from PubChem (CID 169416972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).