(2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

C17H18N2O3 — CID 3937699

IUPAC(2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
SMILESNC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2
InChIInChI=1S/C17H18N2O3/c18-15(20)10-22-17(21)16-11-6-2-1-3-8-13(11)19-14-9-5-4-7-12(14)16/h4-5,7,9H,1-3,6,8,10H2,(H2,18,20)
InChIKeyAXSCQPOFAKFXEH-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.15
Rot. Bonds3

About (2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

(2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate (PubChem CID 3937699) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
PubChem CID3937699
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
SMILESNC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2
InChIInChI=1S/C17H18N2O3/c18-15(20)10-22-17(21)16-11-6-2-1-3-8-13(11)19-14-9-5-4-7-12(14)16/h4-5,7,9H,1-3,6,8,10H2,(H2,18,20)
InChIKeyAXSCQPOFAKFXEH-UHFFFAOYSA-N
XLogP2.15
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate (CID 3937699) is (2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate is NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2.
What is the InChIKey of (2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
The InChIKey is AXSCQPOFAKFXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-15(20)10-22-17(21)16-11-6-2-1-3-8-13(11)19-14-9-5-4-7-12(14)16/h4-5,7,9H,1-3,6,8,10H2,(H2,18,20).
What are the key properties of (2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
(2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate is sourced from PubChem (CID 3937699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).