(3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane

C32H50N2O3 — CID 143875933

About (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane

(3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane (PubChem CID 143875933) has the molecular formula C32H50N2O3 and a molecular weight of 510.76 g/mol. Its IUPAC name is (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane.

Molecular Properties

• Compound Name: (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane
• PubChem CID: 143875933
• Molecular Formula: C32H50N2O3
• Molecular Weight: 510.76 g/mol
• Exact Mass: 510.38
• IUPAC Name: (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane
• SMILES: C=C(O)[C@@H](C)CC(CCC)CCN1CCOc2cnc3ccc(OC)cc3c21.CCCC1CCCCC1
• InChI: InChI=1S/C23H32N2O3.C9H18/c1-5-6-18(13-16(2)17(3)26)9-10-25-11-12-28-22-15-24-21-8-7-19(27-4)14-20(21)23(22)25;1-2-6-9-7-4-3-5-8-9/h7-8,14-16,18,26H,3,5-6,9-13H2,1-2,4H3;9H,2-8H2,1H3/t16-,18?;/m0./s1
• InChIKey: UOXYREVLTFCWFN-DMYPFFKMSA-N
• XLogP: 8.71
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.76
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane?

The IUPAC name of (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane (CID 143875933) is (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane.

What is the SMILES notation for (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane?

The canonical SMILES for (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane is C=C(O)[C@@H](C)CC(CCC)CCN1CCOc2cnc3ccc(OC)cc3c21.CCCC1CCCCC1.

What is the InChIKey of (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane?

The InChIKey is UOXYREVLTFCWFN-DMYPFFKMSA-N. The full InChI is InChI=1S/C23H32N2O3.C9H18/c1-5-6-18(13-16(2)17(3)26)9-10-25-11-12-28-22-15-24-21-8-7-19(27-4)14-20(21)23(22)25;1-2-6-9-7-4-3-5-8-9/h7-8,14-16,18,26H,3,5-6,9-13H2,1-2,4H3;9H,2-8H2,1H3/t16-,18?;/m0./s1.

What are the key properties of (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane?

(3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane has a molecular weight of 510.76 g/mol, XLogP of 8.71, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane is sourced from PubChem (CID 143875933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).