3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one

C32H34N6O4 — CID 44907178

IUPAC3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCOc1ccc(C2=NN(C(=O)Cn3c(-n4nc(C)cc4C)nc4c(c3=O)CCCC4)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C32H34N6O4/c1-20-17-21(2)37(34-20)32-33-27-8-6-5-7-26(27)31(40)36(32)19-30(39)38-29(23-11-15-25(42-4)16-12-23)18-28(35-38)22-9-13-24(41-3)14-10-22/h9-17,29H,5-8,18-19H2,1-4H3
InChIKeyQSDURKIMVYIODZ-UHFFFAOYSA-N
MW566.66 g/mol
LogP4.32
Rot. Bonds7

About 3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one

3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 44907178) has the molecular formula C32H34N6O4 and a molecular weight of 566.66 g/mol. Its IUPAC name is 3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID44907178
Molecular FormulaC32H34N6O4
Molecular Weight566.66 g/mol
Exact Mass566.26
IUPAC Name3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCOc1ccc(C2=NN(C(=O)Cn3c(-n4nc(C)cc4C)nc4c(c3=O)CCCC4)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C32H34N6O4/c1-20-17-21(2)37(34-20)32-33-27-8-6-5-7-26(27)31(40)36(32)19-30(39)38-29(23-11-15-25(42-4)16-12-23)18-28(35-38)22-9-13-24(41-3)14-10-22/h9-17,29H,5-8,18-19H2,1-4H3
InChIKeyQSDURKIMVYIODZ-UHFFFAOYSA-N
XLogP4.32
TPSA103.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one with MolForge

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Related Compounds

3-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one
CID 44907218
2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 41106928
1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 2964804
1-ethyl-4-[2-[(3S)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazine-2,3-dione
CID 41139986
1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one
CID 56509235
1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 7092205
1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2960227
1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819835
2-(4-acetylpiperazin-1-yl)-1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46029892
1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 41144473
1-[(3S)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 93226712
1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 46029888

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one (CID 44907178) is 3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one is COc1ccc(C2=NN(C(=O)Cn3c(-n4nc(C)cc4C)nc4c(c3=O)CCCC4)C(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is QSDURKIMVYIODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O4/c1-20-17-21(2)37(34-20)32-33-27-8-6-5-7-26(27)31(40)36(32)19-30(39)38-29(23-11-15-25(42-4)16-12-23)18-28(35-38)22-9-13-24(41-3)14-10-22/h9-17,29H,5-8,18-19H2,1-4H3.
What are the key properties of 3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one?
3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 566.66 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 44907178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).