3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione

C17H11ClN2O3 — CID 10568171

IUPAC3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c2oc(=O)n(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C17H11ClN2O3/c18-11-7-5-10(6-8-11)9-20-14-15(23-17(20)22)12-3-1-2-4-13(12)19-16(14)21/h1-8H,9H2,(H,19,21)
InChIKeyBYVGOAJXZCVVJM-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.14
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione

3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione (PubChem CID 10568171) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione
PubChem CID10568171
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c2oc(=O)n(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C17H11ClN2O3/c18-11-7-5-10(6-8-11)9-20-14-15(23-17(20)22)12-3-1-2-4-13(12)19-16(14)21/h1-8H,9H2,(H,19,21)
InChIKeyBYVGOAJXZCVVJM-UHFFFAOYSA-N
XLogP3.14
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione 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

3-(2-phenylethyl)-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione
CID 10494845
1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 771877
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
3-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3795361
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
4-oxo-5H-furo[3,2-c]quinoline-2-carboxylic acid
CID 121001648
1-[(4-chlorophenyl)methyl]quinolin-2-one
CID 58966930
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
3-amino-2-(4-chlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599993

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione (CID 10568171) is 3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione is O=c1[nH]c2ccccc2c2oc(=O)n(Cc3ccc(Cl)cc3)c12.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione?
The InChIKey is BYVGOAJXZCVVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c18-11-7-5-10(6-8-11)9-20-14-15(23-17(20)22)12-3-1-2-4-13(12)19-16(14)21/h1-8H,9H2,(H,19,21).
What are the key properties of 3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione?
3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione has a molecular weight of 326.74 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5H-[1,3]oxazolo[4,5-c]quinoline-2,4-dione is sourced from PubChem (CID 10568171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).