N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide

C20H21N3O4 — CID 59026374

IUPACN-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide
SMILESCOCCOc1cc2c(-c3cccc(NC(C)=O)c3)cnnc2cc1OC
InChIInChI=1S/C20H21N3O4/c1-13(24)22-15-6-4-5-14(9-15)17-12-21-23-18-11-19(26-3)20(10-16(17)18)27-8-7-25-2/h4-6,9-12H,7-8H2,1-3H3,(H,22,24)
InChIKeySQMZDCYFNIWCOX-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.29
Rot. Bonds7

About N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide

N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide (PubChem CID 59026374) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide
PubChem CID59026374
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide
SMILESCOCCOc1cc2c(-c3cccc(NC(C)=O)c3)cnnc2cc1OC
InChIInChI=1S/C20H21N3O4/c1-13(24)22-15-6-4-5-14(9-15)17-12-21-23-18-11-19(26-3)20(10-16(17)18)27-8-7-25-2/h4-6,9-12H,7-8H2,1-3H3,(H,22,24)
InChIKeySQMZDCYFNIWCOX-UHFFFAOYSA-N
XLogP3.29
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline
CID 143534314
N-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]acetamide
CID 154687718
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 57393977
2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 24745290
N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;silver
CID 131739517
5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 59009050
1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 143409751
4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline
CID 11624384
2-[4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57393063
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1H-indazole-7-carboxamide
CID 32520598
6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline
CID 11675601

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide (CID 59026374) is N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide is COCCOc1cc2c(-c3cccc(NC(C)=O)c3)cnnc2cc1OC.
What is the InChIKey of N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide?
The InChIKey is SQMZDCYFNIWCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13(24)22-15-6-4-5-14(9-15)17-12-21-23-18-11-19(26-3)20(10-16(17)18)27-8-7-25-2/h4-6,9-12H,7-8H2,1-3H3,(H,22,24).
What are the key properties of N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide?
N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide is sourced from PubChem (CID 59026374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).