4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline

C21H28N2O — CID 177033021

IUPAC4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline
SMILESCOc1ccc2c(CN3CCC4(CC3)CC4)ccnc2c1C(C)C
InChIInChI=1S/C21H28N2O/c1-15(2)19-18(24-3)5-4-17-16(6-11-22-20(17)19)14-23-12-9-21(7-8-21)10-13-23/h4-6,11,15H,7-10,12-14H2,1-3H3
InChIKeyQFMSQKJHCMMCRB-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.74
Rot. Bonds4

About 4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline

4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline (PubChem CID 177033021) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline
PubChem CID177033021
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline
SMILESCOc1ccc2c(CN3CCC4(CC3)CC4)ccnc2c1C(C)C
InChIInChI=1S/C21H28N2O/c1-15(2)19-18(24-3)5-4-17-16(6-11-22-20(17)19)14-23-12-9-21(7-8-21)10-13-23/h4-6,11,15H,7-10,12-14H2,1-3H3
InChIKeyQFMSQKJHCMMCRB-UHFFFAOYSA-N
XLogP4.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline (CID 177033021) is 4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline is COc1ccc2c(CN3CCC4(CC3)CC4)ccnc2c1C(C)C.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline?
The InChIKey is QFMSQKJHCMMCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-15(2)19-18(24-3)5-4-17-16(6-11-22-20(17)19)14-23-12-9-21(7-8-21)10-13-23/h4-6,11,15H,7-10,12-14H2,1-3H3.
What are the key properties of 4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline?
4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline has a molecular weight of 324.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-ylmethyl)-7-methoxy-8-propan-2-ylquinoline is sourced from PubChem (CID 177033021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).