1-(2-amino-2-cyclohexylethyl)cinnolin-4-one

C16H21N3O — CID 104747367

IUPAC1-(2-amino-2-cyclohexylethyl)cinnolin-4-one
SMILESNC(Cn1ncc(=O)c2ccccc21)C1CCCCC1
InChIInChI=1S/C16H21N3O/c17-14(12-6-2-1-3-7-12)11-19-15-9-5-4-8-13(15)16(20)10-18-19/h4-5,8-10,12,14H,1-3,6-7,11,17H2
InChIKeyFSKCZRUKJDSPKT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.30
Rot. Bonds3

About 1-(2-amino-2-cyclohexylethyl)cinnolin-4-one

1-(2-amino-2-cyclohexylethyl)cinnolin-4-one (PubChem CID 104747367) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-amino-2-cyclohexylethyl)cinnolin-4-one.

Molecular Properties

Compound Name1-(2-amino-2-cyclohexylethyl)cinnolin-4-one
PubChem CID104747367
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2-amino-2-cyclohexylethyl)cinnolin-4-one
SMILESNC(Cn1ncc(=O)c2ccccc21)C1CCCCC1
InChIInChI=1S/C16H21N3O/c17-14(12-6-2-1-3-7-12)11-19-15-9-5-4-8-13(15)16(20)10-18-19/h4-5,8-10,12,14H,1-3,6-7,11,17H2
InChIKeyFSKCZRUKJDSPKT-UHFFFAOYSA-N
XLogP2.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-cyclohexylethyl)cinnolin-4-one?
The IUPAC name of 1-(2-amino-2-cyclohexylethyl)cinnolin-4-one (CID 104747367) is 1-(2-amino-2-cyclohexylethyl)cinnolin-4-one.
What is the SMILES notation for 1-(2-amino-2-cyclohexylethyl)cinnolin-4-one?
The canonical SMILES for 1-(2-amino-2-cyclohexylethyl)cinnolin-4-one is NC(Cn1ncc(=O)c2ccccc21)C1CCCCC1.
What is the InChIKey of 1-(2-amino-2-cyclohexylethyl)cinnolin-4-one?
The InChIKey is FSKCZRUKJDSPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-14(12-6-2-1-3-7-12)11-19-15-9-5-4-8-13(15)16(20)10-18-19/h4-5,8-10,12,14H,1-3,6-7,11,17H2.
What are the key properties of 1-(2-amino-2-cyclohexylethyl)cinnolin-4-one?
1-(2-amino-2-cyclohexylethyl)cinnolin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-cyclohexylethyl)cinnolin-4-one is sourced from PubChem (CID 104747367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).