N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide

C19H21FN2O3 — CID 139907271

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2c[nH]c3c(c2=O)CCCC3)c(F)c1
InChIInChI=1S/C19H21FN2O3/c1-25-14-7-6-12(16(20)9-14)10-22-18(23)8-13-11-21-17-5-3-2-4-15(17)19(13)24/h6-7,9,11H,2-5,8,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyLKSSBCKSYWPDDM-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.26
Rot. Bonds5

About N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide

N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide (PubChem CID 139907271) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide
PubChem CID139907271
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2c[nH]c3c(c2=O)CCCC3)c(F)c1
InChIInChI=1S/C19H21FN2O3/c1-25-14-7-6-12(16(20)9-14)10-22-18(23)8-13-11-21-17-5-3-2-4-15(17)19(13)24/h6-7,9,11H,2-5,8,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyLKSSBCKSYWPDDM-UHFFFAOYSA-N
XLogP2.26
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide (CID 139907271) is N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide is COc1ccc(CNC(=O)Cc2c[nH]c3c(c2=O)CCCC3)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide?
The InChIKey is LKSSBCKSYWPDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-25-14-7-6-12(16(20)9-14)10-22-18(23)8-13-11-21-17-5-3-2-4-15(17)19(13)24/h6-7,9,11H,2-5,8,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide?
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 139907271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).