1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one

C20H25FN4O2 — CID 146089206

IUPAC1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESCOCc1cc(N2CCC(N3CCCNC3=O)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C20H25FN4O2/c1-27-13-15-12-19(17-11-14(21)3-4-18(17)23-15)24-9-5-16(6-10-24)25-8-2-7-22-20(25)26/h3-4,11-12,16H,2,5-10,13H2,1H3,(H,22,26)
InChIKeyJFXSYICFUPEUNT-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.90
Rot. Bonds4

About 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one

1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 146089206) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID146089206
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESCOCc1cc(N2CCC(N3CCCNC3=O)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C20H25FN4O2/c1-27-13-15-12-19(17-11-14(21)3-4-18(17)23-15)24-9-5-16(6-10-24)25-8-2-7-22-20(25)26/h3-4,11-12,16H,2,5-10,13H2,1H3,(H,22,26)
InChIKeyJFXSYICFUPEUNT-UHFFFAOYSA-N
XLogP2.90
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid
CID 122106442
(3aS,6aR)-2-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063087
1-[1-(4-fluorophenyl)piperidin-4-yl]imidazolidin-2-one
CID 68820432
1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 139011962
6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline
CID 133368472
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one
CID 133390053
1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 134794985
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline
CID 133368181
1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one
CID 89310720
2-[[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-methylamino]acetic acid
CID 122052198
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
CID 133401351
1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 134794616

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one (CID 146089206) is 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one is COCc1cc(N2CCC(N3CCCNC3=O)CC2)c2cc(F)ccc2n1.
What is the InChIKey of 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is JFXSYICFUPEUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-27-13-15-12-19(17-11-14(21)3-4-18(17)23-15)24-9-5-16(6-10-24)25-8-2-7-22-20(25)26/h3-4,11-12,16H,2,5-10,13H2,1H3,(H,22,26).
What are the key properties of 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 372.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 146089206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).