2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one

C18H16N2O — CID 850148

IUPAC2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one
SMILESCCNc1ccccc(-c2ccc3ccccc3n2)c1=O
InChIInChI=1S/C18H16N2O/c1-2-19-17-10-6-4-8-14(18(17)21)16-12-11-13-7-3-5-9-15(13)20-16/h3-12H,2H2,1H3,(H,19,21)
InChIKeyPCBOSNNSAJGHGY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.69
Rot. Bonds3

About 2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one

2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one (PubChem CID 850148) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one
PubChem CID850148
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one
SMILESCCNc1ccccc(-c2ccc3ccccc3n2)c1=O
InChIInChI=1S/C18H16N2O/c1-2-19-17-10-6-4-8-14(18(17)21)16-12-11-13-7-3-5-9-15(13)20-16/h3-12H,2H2,1H3,(H,19,21)
InChIKeyPCBOSNNSAJGHGY-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one (CID 850148) is 2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one is CCNc1ccccc(-c2ccc3ccccc3n2)c1=O.
What is the InChIKey of 2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one?
The InChIKey is PCBOSNNSAJGHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-19-17-10-6-4-8-14(18(17)21)16-12-11-13-7-3-5-9-15(13)20-16/h3-12H,2H2,1H3,(H,19,21).
What are the key properties of 2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one?
2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one has a molecular weight of 276.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-7-quinolin-2-ylcyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 850148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).