4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine

C23H32N2O3 — CID 175854648

IUPAC4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine
SMILESCOc1cc2c(cc1OCCCN1CCOCC1)N(C1CC1)C1CCCC1=C2
InChIInChI=1S/C23H32N2O3/c1-26-22-15-18-14-17-4-2-5-20(17)25(19-6-7-19)21(18)16-23(22)28-11-3-8-24-9-12-27-13-10-24/h14-16,19-20H,2-13H2,1H3
InChIKeyIAOZIJXXVDCGMJ-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.71
Rot. Bonds7

About 4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine

4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine (PubChem CID 175854648) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine
PubChem CID175854648
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine
SMILESCOc1cc2c(cc1OCCCN1CCOCC1)N(C1CC1)C1CCCC1=C2
InChIInChI=1S/C23H32N2O3/c1-26-22-15-18-14-17-4-2-5-20(17)25(19-6-7-19)21(18)16-23(22)28-11-3-8-24-9-12-27-13-10-24/h14-16,19-20H,2-13H2,1H3
InChIKeyIAOZIJXXVDCGMJ-UHFFFAOYSA-N
XLogP3.71
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine?
The IUPAC name of 4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine (CID 175854648) is 4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine is COc1cc2c(cc1OCCCN1CCOCC1)N(C1CC1)C1CCCC1=C2.
What is the InChIKey of 4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine?
The InChIKey is IAOZIJXXVDCGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-26-22-15-18-14-17-4-2-5-20(17)25(19-6-7-19)21(18)16-23(22)28-11-3-8-24-9-12-27-13-10-24/h14-16,19-20H,2-13H2,1H3.
What are the key properties of 4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine?
4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine has a molecular weight of 384.52 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-cyclopropyl-7-methoxy-1,2,3,3a-tetrahydrocyclopenta[b]quinolin-6-yl)oxy]propyl]morpholine is sourced from PubChem (CID 175854648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).