(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

C20H22N4O — CID 110090455

IUPAC(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC(Cc3ccc4ncccc4c3)CC2)c1
InChIInChI=1S/C20H22N4O/c1-23-13-19(22-14-23)20(25)24-9-6-15(7-10-24)11-16-4-5-18-17(12-16)3-2-8-21-18/h2-5,8,12-15H,6-7,9-11H2,1H3
InChIKeyDLAGAGUTDKEJBW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.06
Rot. Bonds3

About (1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110090455) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
PubChem CID110090455
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC(Cc3ccc4ncccc4c3)CC2)c1
InChIInChI=1S/C20H22N4O/c1-23-13-19(22-14-23)20(25)24-9-6-15(7-10-24)11-16-4-5-18-17(12-16)3-2-8-21-18/h2-5,8,12-15H,6-7,9-11H2,1H3
InChIKeyDLAGAGUTDKEJBW-UHFFFAOYSA-N
XLogP3.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylimidazol-4-yl)-[4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 110098870
pyrimidin-4-yl-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124975155
(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828739
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124963940
(4-methyl-1,3-oxazol-5-yl)-[4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 110098792
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124983487
1-methyl-N-[2-[4-(quinolin-6-ylmethyl)azepane-1-carbonyl]phenyl]pyrazole-3-carboxamide
CID 110150496
(6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 124969600
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
4-(quinolin-6-ylmethyl)cyclohexan-1-one
CID 116997362

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (CID 110090455) is (1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is Cn1cnc(C(=O)N2CCC(Cc3ccc4ncccc4c3)CC2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is DLAGAGUTDKEJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-13-19(22-14-23)20(25)24-9-6-15(7-10-24)11-16-4-5-18-17(12-16)3-2-8-21-18/h2-5,8,12-15H,6-7,9-11H2,1H3.
What are the key properties of (1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110090455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).