1-(2-oxopentyl)cinnolin-4-one

C13H14N2O2 — CID 62043361

IUPAC1-(2-oxopentyl)cinnolin-4-one
SMILESCCCC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C13H14N2O2/c1-2-5-10(16)9-15-12-7-4-3-6-11(12)13(17)8-14-15/h3-4,6-8H,2,5,9H2,1H3
InChIKeyNDDHFRNXJYFLQS-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.77
Rot. Bonds4

About 1-(2-oxopentyl)cinnolin-4-one

1-(2-oxopentyl)cinnolin-4-one (PubChem CID 62043361) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2-oxopentyl)cinnolin-4-one.

Molecular Properties

Compound Name1-(2-oxopentyl)cinnolin-4-one
PubChem CID62043361
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(2-oxopentyl)cinnolin-4-one
SMILESCCCC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C13H14N2O2/c1-2-5-10(16)9-15-12-7-4-3-6-11(12)13(17)8-14-15/h3-4,6-8H,2,5,9H2,1H3
InChIKeyNDDHFRNXJYFLQS-UHFFFAOYSA-N
XLogP1.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 78855476
N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 78672212
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
1-[2-(methylaminomethyl)prop-2-enyl]cinnolin-4-one
CID 103072007
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
1-[3-(propylamino)propyl]cinnolin-4-one
CID 61387894
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopentyl)cinnolin-4-one?
The IUPAC name of 1-(2-oxopentyl)cinnolin-4-one (CID 62043361) is 1-(2-oxopentyl)cinnolin-4-one.
What is the SMILES notation for 1-(2-oxopentyl)cinnolin-4-one?
The canonical SMILES for 1-(2-oxopentyl)cinnolin-4-one is CCCC(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of 1-(2-oxopentyl)cinnolin-4-one?
The InChIKey is NDDHFRNXJYFLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-5-10(16)9-15-12-7-4-3-6-11(12)13(17)8-14-15/h3-4,6-8H,2,5,9H2,1H3.
What are the key properties of 1-(2-oxopentyl)cinnolin-4-one?
1-(2-oxopentyl)cinnolin-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopentyl)cinnolin-4-one is sourced from PubChem (CID 62043361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).