(1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one

C19H18N2O2 — CID 69152859

IUPAC(1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCc1cc(=O)[nH]c2cc(N3C[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4C3)ccc12
InChIInChI=1S/C19H18N2O2/c1-10-6-17(22)20-16-8-13(4-5-14(10)16)21-9-15-11-2-3-12(7-11)18(15)19(21)23/h2-6,8,11-12,15,18H,7,9H2,1H3,(H,20,22)/t11-,12+,15-,18+/m0/s1
InChIKeyJSOKBFXFNBRLAV-ZQUVKOLYSA-N
MW306.37 g/mol
LogP2.62
Rot. Bonds1

About (1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one

(1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 69152859) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID69152859
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCc1cc(=O)[nH]c2cc(N3C[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4C3)ccc12
InChIInChI=1S/C19H18N2O2/c1-10-6-17(22)20-16-8-13(4-5-14(10)16)21-9-15-11-2-3-12(7-11)18(15)19(21)23/h2-6,8,11-12,15,18H,7,9H2,1H3,(H,20,22)/t11-,12+,15-,18+/m0/s1
InChIKeyJSOKBFXFNBRLAV-ZQUVKOLYSA-N
XLogP2.62
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one (CID 69152859) is (1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one is Cc1cc(=O)[nH]c2cc(N3C[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4C3)ccc12.
What is the InChIKey of (1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is JSOKBFXFNBRLAV-ZQUVKOLYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-10-6-17(22)20-16-8-13(4-5-14(10)16)21-9-15-11-2-3-12(7-11)18(15)19(21)23/h2-6,8,11-12,15,18H,7,9H2,1H3,(H,20,22)/t11-,12+,15-,18+/m0/s1.
What are the key properties of (1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one?
(1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 306.37 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 69152859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).