N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide

C20H17N3O3 — CID 86049109

IUPACN-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc2c(OC)ccc(-c3ccccc3)c2cc1C#N
InChIInChI=1S/C20H17N3O3/c1-25-12-18(24)22-20-14(11-21)10-16-15(13-6-4-3-5-7-13)8-9-17(26-2)19(16)23-20/h3-10H,12H2,1-2H3,(H,22,23,24)
InChIKeyWNEZIWRVOQXVCD-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.37
Rot. Bonds5

About N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide

N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide (PubChem CID 86049109) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide
PubChem CID86049109
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc2c(OC)ccc(-c3ccccc3)c2cc1C#N
InChIInChI=1S/C20H17N3O3/c1-25-12-18(24)22-20-14(11-21)10-16-15(13-6-4-3-5-7-13)8-9-17(26-2)19(16)23-20/h3-10H,12H2,1-2H3,(H,22,23,24)
InChIKeyWNEZIWRVOQXVCD-UHFFFAOYSA-N
XLogP3.37
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide
CID 172645812
3-[(3-cyano-8-methoxyquinolin-2-yl)amino]propanoic acid
CID 82233585
2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
CID 168520198
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
2-methoxy-3-phenylbenzonitrile
CID 91276072
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596720
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
[2-(2-cyanoanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2353532
2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 46497838
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
3-methoxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]benzonitrile
CID 51060089

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide?
The IUPAC name of N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide (CID 86049109) is N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide?
The canonical SMILES for N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide is COCC(=O)Nc1nc2c(OC)ccc(-c3ccccc3)c2cc1C#N.
What is the InChIKey of N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide?
The InChIKey is WNEZIWRVOQXVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-12-18(24)22-20-14(11-21)10-16-15(13-6-4-3-5-7-13)8-9-17(26-2)19(16)23-20/h3-10H,12H2,1-2H3,(H,22,23,24).
What are the key properties of N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide?
N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide has a molecular weight of 347.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide is sourced from PubChem (CID 86049109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).