2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide

C18H16FN3O2 — CID 75515555

IUPAC2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CNc2ccc3ccc(F)cc3n2)c1
InChIInChI=1S/C18H16FN3O2/c19-14-6-4-13-5-7-18(22-16(13)9-14)21-10-12-2-1-3-15(8-12)24-11-17(20)23/h1-9H,10-11H2,(H2,20,23)(H,21,22)
InChIKeyPBHUMSGQBJBEPB-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.85
Rot. Bonds6

About 2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide

2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide (PubChem CID 75515555) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide
PubChem CID75515555
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CNc2ccc3ccc(F)cc3n2)c1
InChIInChI=1S/C18H16FN3O2/c19-14-6-4-13-5-7-18(22-16(13)9-14)21-10-12-2-1-3-15(8-12)24-11-17(20)23/h1-9H,10-11H2,(H2,20,23)(H,21,22)
InChIKeyPBHUMSGQBJBEPB-UHFFFAOYSA-N
XLogP2.85
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
CID 103866111
2-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 120971038
2-[3-(2-phenylethylamino)phenoxy]acetamide
CID 43720190
N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 155948994
2-[3-[[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111763596
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 18128509
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
2-[3-[[[N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111985849
2-[3-[[[N-[1-(2,4-difluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111984511
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
2-[3-[(2-fluorophenyl)sulfanylmethyl]phenoxy]acetamide
CID 47476847
(2S)-2-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119746713

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide (CID 75515555) is 2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide is NC(=O)COc1cccc(CNc2ccc3ccc(F)cc3n2)c1.
What is the InChIKey of 2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is PBHUMSGQBJBEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-6-4-13-5-7-18(22-16(13)9-14)21-10-12-2-1-3-15(8-12)24-11-17(20)23/h1-9H,10-11H2,(H2,20,23)(H,21,22).
What are the key properties of 2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide?
2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(7-fluoroquinolin-2-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 75515555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).