2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide

C19H20FN3O3 — CID 46405965

IUPAC2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
SMILESCOc1ccc(NC(=O)NC(=O)CN2CCCc3cc(F)ccc32)cc1
InChIInChI=1S/C19H20FN3O3/c1-26-16-7-5-15(6-8-16)21-19(25)22-18(24)12-23-10-2-3-13-11-14(20)4-9-17(13)23/h4-9,11H,2-3,10,12H2,1H3,(H2,21,22,24,25)
InChIKeyUNOFOWGEEGNRJJ-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.94
Rot. Bonds4

About 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide

2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide (PubChem CID 46405965) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
PubChem CID46405965
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
SMILESCOc1ccc(NC(=O)NC(=O)CN2CCCc3cc(F)ccc32)cc1
InChIInChI=1S/C19H20FN3O3/c1-26-16-7-5-15(6-8-16)21-19(25)22-18(24)12-23-10-2-3-13-11-14(20)4-9-17(13)23/h4-9,11H,2-3,10,12H2,1H3,(H2,21,22,24,25)
InChIKeyUNOFOWGEEGNRJJ-UHFFFAOYSA-N
XLogP2.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide?
The IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide (CID 46405965) is 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide is COc1ccc(NC(=O)NC(=O)CN2CCCc3cc(F)ccc32)cc1.
What is the InChIKey of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide?
The InChIKey is UNOFOWGEEGNRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-26-16-7-5-15(6-8-16)21-19(25)22-18(24)12-23-10-2-3-13-11-14(20)4-9-17(13)23/h4-9,11H,2-3,10,12H2,1H3,(H2,21,22,24,25).
What are the key properties of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide?
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide has a molecular weight of 357.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide is sourced from PubChem (CID 46405965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).