3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one

C17H11Cl2N3O3 — CID 33270453

IUPAC3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=c1c2cc(Cl)cc(Cl)c2ncn1CCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H11Cl2N3O3/c18-10-7-11-15(12(19)8-10)20-9-21(16(11)23)5-6-22-13-3-1-2-4-14(13)25-17(22)24/h1-4,7-9H,5-6H2
InChIKeyIDNDAJUVULYBPW-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.31
Rot. Bonds3

About 3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one

3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one (PubChem CID 33270453) has the molecular formula C17H11Cl2N3O3 and a molecular weight of 376.20 g/mol. Its IUPAC name is 3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one
PubChem CID33270453
Molecular FormulaC17H11Cl2N3O3
Molecular Weight376.20 g/mol
Exact Mass375.02
IUPAC Name3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=c1c2cc(Cl)cc(Cl)c2ncn1CCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H11Cl2N3O3/c18-10-7-11-15(12(19)8-10)20-9-21(16(11)23)5-6-22-13-3-1-2-4-14(13)25-17(22)24/h1-4,7-9H,5-6H2
InChIKeyIDNDAJUVULYBPW-UHFFFAOYSA-N
XLogP3.31
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 33342432
6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
CID 7628762
6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
CID 17459984
6,8-dichloro-3-[[(2S)-1,4-dioxan-2-yl]methyl]quinazolin-4-one
CID 124885365
6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one
CID 71997097
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39061483
3-[2-(3-aminopyrazol-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 63316065
6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 4132185
3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 33276536
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55727578
6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 46674983

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one (CID 33270453) is 3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one is O=c1c2cc(Cl)cc(Cl)c2ncn1CCn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is IDNDAJUVULYBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O3/c18-10-7-11-15(12(19)8-10)20-9-21(16(11)23)5-6-22-13-3-1-2-4-14(13)25-17(22)24/h1-4,7-9H,5-6H2.
What are the key properties of 3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one?
3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 376.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 33270453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).