N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide

C19H18N2O3 — CID 4171042

IUPACN-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C19H18N2O3/c1-24-17-9-5-3-7-15(17)12-20-18(22)13-21-11-10-14-6-2-4-8-16(14)19(21)23/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyBLHBVSXHOMVBHT-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.33
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 4171042) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID4171042
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C19H18N2O3/c1-24-17-9-5-3-7-15(17)12-20-18(22)13-21-11-10-14-6-2-4-8-16(14)19(21)23/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyBLHBVSXHOMVBHT-UHFFFAOYSA-N
XLogP2.33
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 71909112
N-[(2-methoxyphenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27687387
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 26022125
N-[(2-methoxyphenyl)methyl]-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 50800496
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(7-methoxyindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39348357
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686502
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123
2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid
CID 71915489

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide (CID 4171042) is N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide is COc1ccccc1CNC(=O)Cn1ccc2ccccc2c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is BLHBVSXHOMVBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-24-17-9-5-3-7-15(17)12-20-18(22)13-21-11-10-14-6-2-4-8-16(14)19(21)23/h2-11H,12-13H2,1H3,(H,20,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 4171042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).