2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide

C16H25N3O3 — CID 75465653

IUPAC2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C16H25N3O3/c1-12(2)22-9-5-8-17-15(20)11-19-16(21)10-13-6-3-4-7-14(13)18-19/h10,12H,3-9,11H2,1-2H3,(H,17,20)
InChIKeyNECPSVVARHSIBT-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.05
Rot. Bonds7

About 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 75465653) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID75465653
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C16H25N3O3/c1-12(2)22-9-5-8-17-15(20)11-19-16(21)10-13-6-3-4-7-14(13)18-19/h10,12H,3-9,11H2,1-2H3,(H,17,20)
InChIKeyNECPSVVARHSIBT-UHFFFAOYSA-N
XLogP1.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 75465653) is 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)Cn1nc2c(cc1=O)CCCC2.
What is the InChIKey of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is NECPSVVARHSIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(2)22-9-5-8-17-15(20)11-19-16(21)10-13-6-3-4-7-14(13)18-19/h10,12H,3-9,11H2,1-2H3,(H,17,20).
What are the key properties of 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 75465653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).