2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline

C22H28N4O2 — CID 72878008

IUPAC2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline
SMILESCCn1ccnc1C1CCN(c2cc(C)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C22H28N4O2/c1-5-25-11-8-23-22(25)16-6-9-26(10-7-16)21-12-15(2)17-13-19(27-3)20(28-4)14-18(17)24-21/h8,11-14,16H,5-7,9-10H2,1-4H3
InChIKeyHGIODYOQOFTYNF-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.16
Rot. Bonds5

About 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline

2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline (PubChem CID 72878008) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline.

Molecular Properties

Compound Name2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline
PubChem CID72878008
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline
SMILESCCn1ccnc1C1CCN(c2cc(C)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C22H28N4O2/c1-5-25-11-8-23-22(25)16-6-9-26(10-7-16)21-12-15(2)17-13-19(27-3)20(28-4)14-18(17)24-21/h8,11-14,16H,5-7,9-10H2,1-4H3
InChIKeyHGIODYOQOFTYNF-UHFFFAOYSA-N
XLogP4.16
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline?
The IUPAC name of 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline (CID 72878008) is 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline.
What is the SMILES notation for 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline?
The canonical SMILES for 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline is CCn1ccnc1C1CCN(c2cc(C)c3cc(OC)c(OC)cc3n2)CC1.
What is the InChIKey of 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline?
The InChIKey is HGIODYOQOFTYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-5-25-11-8-23-22(25)16-6-9-26(10-7-16)21-12-15(2)17-13-19(27-3)20(28-4)14-18(17)24-21/h8,11-14,16H,5-7,9-10H2,1-4H3.
What are the key properties of 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline?
2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline has a molecular weight of 380.49 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline is sourced from PubChem (CID 72878008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).