2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one

C20H20N4O2 — CID 166245156

IUPAC2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1ccc2cc(C(=O)N3CCC(c4nccc(=O)[nH]4)CC3)ccc2n1
InChIInChI=1S/C20H20N4O2/c1-13-2-3-15-12-16(4-5-17(15)22-13)20(26)24-10-7-14(8-11-24)19-21-9-6-18(25)23-19/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,21,23,25)
InChIKeyDNBIOFIHFYHTMH-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.65
Rot. Bonds2

About 2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one

2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 166245156) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID166245156
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1ccc2cc(C(=O)N3CCC(c4nccc(=O)[nH]4)CC3)ccc2n1
InChIInChI=1S/C20H20N4O2/c1-13-2-3-15-12-16(4-5-17(15)22-13)20(26)24-10-7-14(8-11-24)19-21-9-6-18(25)23-19/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,21,23,25)
InChIKeyDNBIOFIHFYHTMH-UHFFFAOYSA-N
XLogP2.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-bromo-2-methylquinolin-4-yl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 166292007
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682322
2-methyl-5-[[4-(2-methylquinoline-6-carbonyl)-1,4-diazepan-1-yl]methyl]-4H-1,2,4-triazol-3-one
CID 146147939
3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124968805
4-methyl-2-[(2S)-4-(quinoline-6-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137037891
(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110725789
[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95824132
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 70730737
6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 118783804
(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 136530461

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one (CID 166245156) is 2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one is Cc1ccc2cc(C(=O)N3CCC(c4nccc(=O)[nH]4)CC3)ccc2n1.
What is the InChIKey of 2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is DNBIOFIHFYHTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-2-3-15-12-16(4-5-17(15)22-13)20(26)24-10-7-14(8-11-24)19-21-9-6-18(25)23-19/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,21,23,25).
What are the key properties of 2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 348.41 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylquinoline-6-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 166245156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).