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

C23H26N4O2 — CID 126942069

IUPAC6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C(=O)c3ccc4ncccc4c3)CC2)cn1
InChIInChI=1S/C23H26N4O2/c1-16(2)21-13-22(28)27(15-25-21)14-17-7-10-26(11-8-17)23(29)19-5-6-20-18(12-19)4-3-9-24-20/h3-6,9,12-13,15-17H,7-8,10-11,14H2,1-2H3
InChIKeyNVBDNVMWIKJSMG-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.47
Rot. Bonds4

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

6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126942069) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126942069
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C(=O)c3ccc4ncccc4c3)CC2)cn1
InChIInChI=1S/C23H26N4O2/c1-16(2)21-13-22(28)27(15-25-21)14-17-7-10-26(11-8-17)23(29)19-5-6-20-18(12-19)4-3-9-24-20/h3-6,9,12-13,15-17H,7-8,10-11,14H2,1-2H3
InChIKeyNVBDNVMWIKJSMG-UHFFFAOYSA-N
XLogP3.47
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126942069) is 6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(C(=O)c3ccc4ncccc4c3)CC2)cn1.
What is the InChIKey of 6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is NVBDNVMWIKJSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(2)21-13-22(28)27(15-25-21)14-17-7-10-26(11-8-17)23(29)19-5-6-20-18(12-19)4-3-9-24-20/h3-6,9,12-13,15-17H,7-8,10-11,14H2,1-2H3.
What are the key properties of 6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 390.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126942069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).