3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione

C25H27ClN2O2 — CID 154694484

IUPAC3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESCC(Cc1ccccc1)C1CCc2c(n(C)c(=O)n(Cc3ccc(Cl)cc3)c2=O)C1
InChIInChI=1S/C25H27ClN2O2/c1-17(14-18-6-4-3-5-7-18)20-10-13-22-23(15-20)27(2)25(30)28(24(22)29)16-19-8-11-21(26)12-9-19/h3-9,11-12,17,20H,10,13-16H2,1-2H3
InChIKeyXBJZRDNFMIJHTB-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.23
Rot. Bonds5

About 3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione

3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione (PubChem CID 154694484) has the molecular formula C25H27ClN2O2 and a molecular weight of 422.96 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
PubChem CID154694484
Molecular FormulaC25H27ClN2O2
Molecular Weight422.96 g/mol
Exact Mass422.18
IUPAC Name3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESCC(Cc1ccccc1)C1CCc2c(n(C)c(=O)n(Cc3ccc(Cl)cc3)c2=O)C1
InChIInChI=1S/C25H27ClN2O2/c1-17(14-18-6-4-3-5-7-18)20-10-13-22-23(15-20)27(2)25(30)28(24(22)29)16-19-8-11-21(26)12-9-19/h3-9,11-12,17,20H,10,13-16H2,1-2H3
InChIKeyXBJZRDNFMIJHTB-UHFFFAOYSA-N
XLogP4.23
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione with MolForge

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Related Compounds

6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 157111806
6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 55838710
3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 22509098
3-benzyl-1-methyl-6-(3-pyrrol-1-ylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 22509076
1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
CID 662349
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 3687766
3-[(4-chlorophenyl)methyl]-1-[(1S,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
CID 101239251
1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione
CID 24782170
1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-phenoxypurine-2,6-dione
CID 1302970
(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
CID 23404723
1-benzyl-3,7-dimethyl-8-propan-2-yloxypurine-2,6-dione
CID 91901149
2-(1-benzyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 4784701

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione (CID 154694484) is 3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione is CC(Cc1ccccc1)C1CCc2c(n(C)c(=O)n(Cc3ccc(Cl)cc3)c2=O)C1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The InChIKey is XBJZRDNFMIJHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O2/c1-17(14-18-6-4-3-5-7-18)20-10-13-22-23(15-20)27(2)25(30)28(24(22)29)16-19-8-11-21(26)12-9-19/h3-9,11-12,17,20H,10,13-16H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione has a molecular weight of 422.96 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-methyl-7-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 154694484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).