3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone

C18H22N4O — CID 24895969

IUPAC3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2cnc[nH]2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-13-20-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
InChIKeyUTSIHHDNMUZNMG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.16
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone (PubChem CID 24895969) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone
PubChem CID24895969
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2cnc[nH]2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-13-20-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
InChIKeyUTSIHHDNMUZNMG-UHFFFAOYSA-N
XLogP3.16
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone (CID 24895969) is 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone is O=C(N1CCC(c2cnc[nH]2)CC1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is UTSIHHDNMUZNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-13-20-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24895969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).