6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one

C11H17N3O2 — CID 121199722

IUPAC6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCOCCn1nc2c(cc1=O)CC(N)CC2
InChIInChI=1S/C11H17N3O2/c1-16-5-4-14-11(15)7-8-6-9(12)2-3-10(8)13-14/h7,9H,2-6,12H2,1H3
InChIKeyFAPWVJMPSVLDAB-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.29
Rot. Bonds3

About 6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one

6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 121199722) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID121199722
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCOCCn1nc2c(cc1=O)CC(N)CC2
InChIInChI=1S/C11H17N3O2/c1-16-5-4-14-11(15)7-8-6-9(12)2-3-10(8)13-14/h7,9H,2-6,12H2,1H3
InChIKeyFAPWVJMPSVLDAB-UHFFFAOYSA-N
XLogP-0.29
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one (CID 121199722) is 6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one is COCCn1nc2c(cc1=O)CC(N)CC2.
What is the InChIKey of 6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is FAPWVJMPSVLDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-5-4-14-11(15)7-8-6-9(12)2-3-10(8)13-14/h7,9H,2-6,12H2,1H3.
What are the key properties of 6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 223.28 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-methoxyethyl)-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 121199722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).