2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide

C19H23FN2O2 — CID 153359566

IUPAC2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide
SMILESCc1cccc(OCC(=O)N(C)C2=NC3=C(CCCC3)CC2)c1F
InChIInChI=1S/C19H23FN2O2/c1-13-6-5-9-16(19(13)20)24-12-18(23)22(2)17-11-10-14-7-3-4-8-15(14)21-17/h5-6,9H,3-4,7-8,10-12H2,1-2H3
InChIKeyMADKLCBZRYTLBQ-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.99
Rot. Bonds3

About 2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide

2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide (PubChem CID 153359566) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide
PubChem CID153359566
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide
SMILESCc1cccc(OCC(=O)N(C)C2=NC3=C(CCCC3)CC2)c1F
InChIInChI=1S/C19H23FN2O2/c1-13-6-5-9-16(19(13)20)24-12-18(23)22(2)17-11-10-14-7-3-4-8-15(14)21-17/h5-6,9H,3-4,7-8,10-12H2,1-2H3
InChIKeyMADKLCBZRYTLBQ-UHFFFAOYSA-N
XLogP3.99
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-3-methyl-2-[[3-[(3E,5Z)-4-(trifluoromethyl)octa-3,5-dien-2-yl]oxyphenyl]methyl]pyrimidin-4-one
CID 132238688
2-(4-fluoro-3-methylphenoxy)-N-(4,5,6,7,8,9-hexahydro-3H-1-benzazepin-2-yl)-N-prop-2-enylpropanamide
CID 153359577
8-Methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 16545584
7-Methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 16611295
9-Methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42885384
2-[[3-(Trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42894990
8-fluoro-2-(2-(4-isopropylphenoxy)acetyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632554
5-[2-[3-(Trifluoromethyl)phenoxy]acetyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 92127829
3-ethyl-7-[2-(2-fluoro-5-methylphenoxy)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 126804440
3-ethyl-7-[2-[3-(trifluoromethyl)phenoxy]acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 132358466
2-[(3-Fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135424181
2-[(4-Fluorophenyl)methyl]-6-(2-phenoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619274

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide (CID 153359566) is 2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide is Cc1cccc(OCC(=O)N(C)C2=NC3=C(CCCC3)CC2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide?
The InChIKey is MADKLCBZRYTLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-13-6-5-9-16(19(13)20)24-12-18(23)22(2)17-11-10-14-7-3-4-8-15(14)21-17/h5-6,9H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide?
2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide has a molecular weight of 330.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-N-(3,4,5,6,7,8-hexahydroquinolin-2-yl)-N-methylacetamide is sourced from PubChem (CID 153359566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).