1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one

C20H22N4O3 — CID 24748467

IUPAC1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one
SMILESCOc1cc2nncc(N3CCCC(n4ccccc4=O)C3)c2cc1OC
InChIInChI=1S/C20H22N4O3/c1-26-18-10-15-16(11-19(18)27-2)22-21-12-17(15)23-8-5-6-14(13-23)24-9-4-3-7-20(24)25/h3-4,7,9-12,14H,5-6,8,13H2,1-2H3
InChIKeyDSOVCUAZNACOIV-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.65
Rot. Bonds4

About 1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one

1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one (PubChem CID 24748467) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one
PubChem CID24748467
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one
SMILESCOc1cc2nncc(N3CCCC(n4ccccc4=O)C3)c2cc1OC
InChIInChI=1S/C20H22N4O3/c1-26-18-10-15-16(11-19(18)27-2)22-21-12-17(15)23-8-5-6-14(13-23)24-9-4-3-7-20(24)25/h3-4,7,9-12,14H,5-6,8,13H2,1-2H3
InChIKeyDSOVCUAZNACOIV-UHFFFAOYSA-N
XLogP2.65
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one?
The IUPAC name of 1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one (CID 24748467) is 1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one.
What is the SMILES notation for 1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one?
The canonical SMILES for 1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one is COc1cc2nncc(N3CCCC(n4ccccc4=O)C3)c2cc1OC.
What is the InChIKey of 1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one?
The InChIKey is DSOVCUAZNACOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-18-10-15-16(11-19(18)27-2)22-21-12-17(15)23-8-5-6-14(13-23)24-9-4-3-7-20(24)25/h3-4,7,9-12,14H,5-6,8,13H2,1-2H3.
What are the key properties of 1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one?
1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one is sourced from PubChem (CID 24748467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).