2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one

C18H18N6O2 — CID 136664883

IUPAC2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(C(=O)c3ccnc4ccccc34)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H18N6O2/c19-18-21-15(11-16(25)22-18)23-7-9-24(10-8-23)17(26)13-5-6-20-14-4-2-1-3-12(13)14/h1-6,11H,7-10H2,(H3,19,21,22,25)
InChIKeyDPLFNJVWCRTJRI-UHFFFAOYSA-N
MW350.38 g/mol
LogP0.86
Rot. Bonds2

About 2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136664883) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136664883
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(C(=O)c3ccnc4ccccc34)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H18N6O2/c19-18-21-15(11-16(25)22-18)23-7-9-24(10-8-23)17(26)13-5-6-20-14-4-2-1-3-12(13)14/h1-6,11H,7-10H2,(H3,19,21,22,25)
InChIKeyDPLFNJVWCRTJRI-UHFFFAOYSA-N
XLogP0.86
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136948059
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
2-amino-4-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665275
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136988385
2-amino-4-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136662349
2-[3-[4-(quinoline-4-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399354
2-amino-4-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136662158
2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136988391
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone
CID 154566115
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136664883) is 2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is Nc1nc(N2CCN(C(=O)c3ccnc4ccccc34)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is DPLFNJVWCRTJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c19-18-21-15(11-16(25)22-18)23-7-9-24(10-8-23)17(26)13-5-6-20-14-4-2-1-3-12(13)14/h1-6,11H,7-10H2,(H3,19,21,22,25).
What are the key properties of 2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 350.38 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136664883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).