6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C23H24N4O2 — CID 126941517

IUPAC6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(c1ccc2ccccc2n1)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1
InChIInChI=1S/C23H24N4O2/c28-22-13-21(18-5-6-18)24-15-27(22)14-16-9-11-26(12-10-16)23(29)20-8-7-17-3-1-2-4-19(17)25-20/h1-4,7-8,13,15-16,18H,5-6,9-12,14H2
InChIKeyIEJIKWNYZOEMJY-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.22
Rot. Bonds4

About 6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941517) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941517
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(c1ccc2ccccc2n1)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1
InChIInChI=1S/C23H24N4O2/c28-22-13-21(18-5-6-18)24-15-27(22)14-16-9-11-26(12-10-16)23(29)20-8-7-17-3-1-2-4-19(17)25-20/h1-4,7-8,13,15-16,18H,5-6,9-12,14H2
InChIKeyIEJIKWNYZOEMJY-UHFFFAOYSA-N
XLogP3.22
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
6-pyridin-3-yl-3-[[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942922
N-cycloheptyl-4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126941551
6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941871
6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941774
3-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943364
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122279259
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
6-cyclopropyl-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941716
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 48734257

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941517) is 6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=C(c1ccc2ccccc2n1)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is IEJIKWNYZOEMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22-13-21(18-5-6-18)24-15-27(22)14-16-9-11-26(12-10-16)23(29)20-8-7-17-3-1-2-4-19(17)25-20/h1-4,7-8,13,15-16,18H,5-6,9-12,14H2.
What are the key properties of 6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 388.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).