2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol

C29H32N2O2 — CID 176888208

IUPAC2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol
SMILESCOC1(c2ccc3cc(C)ccc3n2)CCC1.Cc1ccc2nc(C3(O)CCC3)ccc2c1
InChIInChI=1S/C15H17NO.C14H15NO/c1-11-4-6-13-12(10-11)5-7-14(16-13)15(17-2)8-3-9-15;1-10-3-5-12-11(9-10)4-6-13(15-12)14(16)7-2-8-14/h4-7,10H,3,8-9H2,1-2H3;3-6,9,16H,2,7-8H2,1H3
InChIKeyMRTLUDKKJBPHMW-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.48
Rot. Bonds3

About 2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol

2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol (PubChem CID 176888208) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol
PubChem CID176888208
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol
SMILESCOC1(c2ccc3cc(C)ccc3n2)CCC1.Cc1ccc2nc(C3(O)CCC3)ccc2c1
InChIInChI=1S/C15H17NO.C14H15NO/c1-11-4-6-13-12(10-11)5-7-14(16-13)15(17-2)8-3-9-15;1-10-3-5-12-11(9-10)4-6-13(15-12)14(16)7-2-8-14/h4-7,10H,3,8-9H2,1-2H3;3-6,9,16H,2,7-8H2,1H3
InChIKeyMRTLUDKKJBPHMW-UHFFFAOYSA-N
XLogP6.48
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol?
The IUPAC name of 2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol (CID 176888208) is 2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol?
The canonical SMILES for 2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol is COC1(c2ccc3cc(C)ccc3n2)CCC1.Cc1ccc2nc(C3(O)CCC3)ccc2c1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol?
The InChIKey is MRTLUDKKJBPHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C14H15NO/c1-11-4-6-13-12(10-11)5-7-14(16-13)15(17-2)8-3-9-15;1-10-3-5-12-11(9-10)4-6-13(15-12)14(16)7-2-8-14/h4-7,10H,3,8-9H2,1-2H3;3-6,9,16H,2,7-8H2,1H3.
What are the key properties of 2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol?
2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol has a molecular weight of 440.59 g/mol, XLogP of 6.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 176888208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).