3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C24H24N4O3 — CID 55505824

IUPAC3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1ccn(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)/c(=N/C2CCCCC2)c1
InChIInChI=1S/C24H24N4O3/c1-16-11-12-28(20(13-16)26-17-7-3-2-4-8-17)21(29)14-27-15-25-22-18-9-5-6-10-19(18)31-23(22)24(27)30/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3/b26-20+
InChIKeyLCRDCSRZOXTGMK-LHLOQNFPSA-N
MW416.48 g/mol
LogP3.83
Rot. Bonds3

About 3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 55505824) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID55505824
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1ccn(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)/c(=N/C2CCCCC2)c1
InChIInChI=1S/C24H24N4O3/c1-16-11-12-28(20(13-16)26-17-7-3-2-4-8-17)21(29)14-27-15-25-22-18-9-5-6-10-19(18)31-23(22)24(27)30/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3/b26-20+
InChIKeyLCRDCSRZOXTGMK-LHLOQNFPSA-N
XLogP3.83
TPSA82.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 55507558
N-(cyclohexylcarbamoyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808344
3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119633290
N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119620632
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 55386237
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119375446
3-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 119545425
(3aR,7aS)-2-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98316850
2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 55533497
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119380116
3-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 119541004
N-(2-amino-1-cyclohexylethyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide;hydrochloride
CID 119591014

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 55505824) is 3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is Cc1ccn(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)/c(=N/C2CCCCC2)c1.
What is the InChIKey of 3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is LCRDCSRZOXTGMK-LHLOQNFPSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-11-12-28(20(13-16)26-17-7-3-2-4-8-17)21(29)14-27-15-25-22-18-9-5-6-10-19(18)31-23(22)24(27)30/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3/b26-20+.
What are the key properties of 3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 416.48 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyclohexylimino-4-methyl-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 55505824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).