3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione

C17H15ClN2O2 — CID 118499009

IUPAC3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione
SMILESC[C@H](c1ccc(Cl)cc1)n1c(=O)c2ccccc2n(C)c1=O
InChIInChI=1S/C17H15ClN2O2/c1-11(12-7-9-13(18)10-8-12)20-16(21)14-5-3-4-6-15(14)19(2)17(20)22/h3-11H,1-2H3/t11-/m1/s1
InChIKeyJFENJCDQJMMKRL-LLVKDONJSA-N
MW314.77 g/mol
LogP2.96
Rot. Bonds2

About 3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione

3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione (PubChem CID 118499009) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione
PubChem CID118499009
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione
SMILESC[C@H](c1ccc(Cl)cc1)n1c(=O)c2ccccc2n(C)c1=O
InChIInChI=1S/C17H15ClN2O2/c1-11(12-7-9-13(18)10-8-12)20-16(21)14-5-3-4-6-15(14)19(2)17(20)22/h3-11H,1-2H3/t11-/m1/s1
InChIKeyJFENJCDQJMMKRL-LLVKDONJSA-N
XLogP2.96
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
1,3-Dimethyl-2,4(1H,3H)-quinazolinedione
CID 101217
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
2-(3-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 3117363
3-(2,4-Dichlorophenyl)-6-fluoro-1-methylquinazoline-2,4-dione
CID 139596634
Pencycuron-ketone
CID 139595074
Cloperidone
CID 10675
Mls002702065
CID 300570
3-(3-chlorophenyl)quinazoline-2,4(1H,3H)-dione
CID 659914

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione (CID 118499009) is 3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione is C[C@H](c1ccc(Cl)cc1)n1c(=O)c2ccccc2n(C)c1=O.
What is the InChIKey of 3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione?
The InChIKey is JFENJCDQJMMKRL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11(12-7-9-13(18)10-8-12)20-16(21)14-5-3-4-6-15(14)19(2)17(20)22/h3-11H,1-2H3/t11-/m1/s1.
What are the key properties of 3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione?
3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione has a molecular weight of 314.77 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 118499009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).