2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide

C18H17N3O2 — CID 167498195

IUPAC2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide
SMILESCc1ccccc1-c1c[nH]c(=O)c2cc(NCC(N)=O)ccc12
InChIInChI=1S/C18H17N3O2/c1-11-4-2-3-5-13(11)16-9-21-18(23)15-8-12(6-7-14(15)16)20-10-17(19)22/h2-9,20H,10H2,1H3,(H2,19,22)(H,21,23)
InChIKeyDYMHKLBFQZUYMC-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.40
Rot. Bonds4

About 2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide

2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide (PubChem CID 167498195) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide
PubChem CID167498195
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide
SMILESCc1ccccc1-c1c[nH]c(=O)c2cc(NCC(N)=O)ccc12
InChIInChI=1S/C18H17N3O2/c1-11-4-2-3-5-13(11)16-9-21-18(23)15-8-12(6-7-14(15)16)20-10-17(19)22/h2-9,20H,10H2,1H3,(H2,19,22)(H,21,23)
InChIKeyDYMHKLBFQZUYMC-UHFFFAOYSA-N
XLogP2.40
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-3-[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]propanoate
CID 167498394
2-(3,4-dimethylanilino)acetamide
CID 28580413
4-(2-methylphenyl)-7-(1,1,1-trifluoropropan-2-yloxy)-2H-isoquinolin-1-one
CID 167498245
(3S)-1-[(2S)-2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]propanoyl]piperidine-3-carboxylic acid
CID 167498401
N-ethyl-2-methyl-3-[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]-N-propylpropanamide
CID 167498634
acetic acid;4-(2-methylphenyl)-7-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxy-2H-isoquinolin-1-one
CID 167498419
2-(3-tert-butylanilino)acetamide
CID 59090676
2-methyl-3-[[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]propanoic acid
CID 167498679
(3S)-4-[(2R)-2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]oxy]propanoyl]morpholine-3-carboxylic acid
CID 167498218
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2-(4-aminoanilino)acetamide
CID 19048353
(2S)-2-[[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]butanamide
CID 167498889

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide?
The IUPAC name of 2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide (CID 167498195) is 2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide.
What is the SMILES notation for 2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide?
The canonical SMILES for 2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide is Cc1ccccc1-c1c[nH]c(=O)c2cc(NCC(N)=O)ccc12.
What is the InChIKey of 2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide?
The InChIKey is DYMHKLBFQZUYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-4-2-3-5-13(11)16-9-21-18(23)15-8-12(6-7-14(15)16)20-10-17(19)22/h2-9,20H,10H2,1H3,(H2,19,22)(H,21,23).
What are the key properties of 2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide?
2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]amino]acetamide is sourced from PubChem (CID 167498195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).