argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride

C17H12ArClNO3 — CID 87854303

IUPACargon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride
SMILESO=C(Cl)c1cc2ccccc2c(=O)n1OCc1ccccc1.[Ar]
InChIInChI=1S/C17H12ClNO3.Ar/c18-16(20)15-10-13-8-4-5-9-14(13)17(21)19(15)22-11-12-6-2-1-3-7-12;/h1-10H,11H2;
InChIKeyBEMHGGSCYBJXRP-UHFFFAOYSA-N
MW353.69 g/mol
LogP3.01
Rot. Bonds4

About argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride

argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride (PubChem CID 87854303) has the molecular formula C17H12ArClNO3 and a molecular weight of 353.69 g/mol. Its IUPAC name is argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride.

Molecular Properties

Compound Nameargon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride
PubChem CID87854303
Molecular FormulaC17H12ArClNO3
Molecular Weight353.69 g/mol
Exact Mass353.01
IUPAC Nameargon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride
SMILESO=C(Cl)c1cc2ccccc2c(=O)n1OCc1ccccc1.[Ar]
InChIInChI=1S/C17H12ClNO3.Ar/c18-16(20)15-10-13-8-4-5-9-14(13)17(21)19(15)22-11-12-6-2-1-3-7-12;/h1-10H,11H2;
InChIKeyBEMHGGSCYBJXRP-UHFFFAOYSA-N
XLogP3.01
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide
CID 171704849
N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide
CID 137049892
2-(2-amino-2-oxoethyl)-1-oxoisoquinoline-3-carboxylic acid
CID 82366655
3-hydroxy-2-phenylmethoxy-4-(piperidine-1-carbonyl)isoquinolin-1-one
CID 137052482
2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid
CID 11833029
benzyl carbonochloridate
CID 10387
2-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 136541799
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
1-oxo-2-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide
CID 172882514
N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide
CID 137126440
2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide
CID 171700993
3-hydroxy-N-nonyl-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide
CID 137061374

Frequently Asked Questions

What is the IUPAC name of argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride?
The IUPAC name of argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride (CID 87854303) is argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride.
What is the SMILES notation for argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride?
The canonical SMILES for argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride is O=C(Cl)c1cc2ccccc2c(=O)n1OCc1ccccc1.[Ar].
What is the InChIKey of argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride?
The InChIKey is BEMHGGSCYBJXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3.Ar/c18-16(20)15-10-13-8-4-5-9-14(13)17(21)19(15)22-11-12-6-2-1-3-7-12;/h1-10H,11H2;.
What are the key properties of argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride?
argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride has a molecular weight of 353.69 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride is sourced from PubChem (CID 87854303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).