4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline

C20H24N4 — CID 72838258

IUPAC4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline
SMILESCC(C)n1ccnc1C1CCCN(c2ccnc3ccccc23)C1
InChIInChI=1S/C20H24N4/c1-15(2)24-13-11-22-20(24)16-6-5-12-23(14-16)19-9-10-21-18-8-4-3-7-17(18)19/h3-4,7-11,13,15-16H,5-6,12,14H2,1-2H3
InChIKeyNUVDAPUQYLMVRR-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.40
Rot. Bonds3

About 4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline

4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline (PubChem CID 72838258) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline
PubChem CID72838258
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline
SMILESCC(C)n1ccnc1C1CCCN(c2ccnc3ccccc23)C1
InChIInChI=1S/C20H24N4/c1-15(2)24-13-11-22-20(24)16-6-5-12-23(14-16)19-9-10-21-18-8-4-3-7-17(18)19/h3-4,7-11,13,15-16H,5-6,12,14H2,1-2H3
InChIKeyNUVDAPUQYLMVRR-UHFFFAOYSA-N
XLogP4.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
The IUPAC name of 4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline (CID 72838258) is 4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline is CC(C)n1ccnc1C1CCCN(c2ccnc3ccccc23)C1.
What is the InChIKey of 4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
The InChIKey is NUVDAPUQYLMVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-15(2)24-13-11-22-20(24)16-6-5-12-23(14-16)19-9-10-21-18-8-4-3-7-17(18)19/h3-4,7-11,13,15-16H,5-6,12,14H2,1-2H3.
What are the key properties of 4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline?
4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline has a molecular weight of 320.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 72838258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).