6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one

C20H16Cl2N4O3 — CID 26919004

IUPAC6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1cc(-n2c(C)cc(C(=O)Cn3cnc4c(Cl)cc(Cl)cc4c3=O)c2C)no1
InChIInChI=1S/C20H16Cl2N4O3/c1-10-4-14(12(3)26(10)18-5-11(2)29-24-18)17(27)8-25-9-23-19-15(20(25)28)6-13(21)7-16(19)22/h4-7,9H,8H2,1-3H3
InChIKeyBYAASTZHCLNBDT-UHFFFAOYSA-N
MW431.28 g/mol
LogP4.29
Rot. Bonds4

About 6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one

6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 26919004) has the molecular formula C20H16Cl2N4O3 and a molecular weight of 431.28 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID26919004
Molecular FormulaC20H16Cl2N4O3
Molecular Weight431.28 g/mol
Exact Mass430.06
IUPAC Name6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1cc(-n2c(C)cc(C(=O)Cn3cnc4c(Cl)cc(Cl)cc4c3=O)c2C)no1
InChIInChI=1S/C20H16Cl2N4O3/c1-10-4-14(12(3)26(10)18-5-11(2)29-24-18)17(27)8-25-9-23-19-15(20(25)28)6-13(21)7-16(19)22/h4-7,9H,8H2,1-3H3
InChIKeyBYAASTZHCLNBDT-UHFFFAOYSA-N
XLogP4.29
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one 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

6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
CID 8901989
N-[3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 46817909
11-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 7886110
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819803
3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 18229367
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-3-methylurea
CID 53498550
6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7875266
6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 4132185
6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 7628697
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
2-(4-bromophenoxy)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
CID 7815687

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one (CID 26919004) is 6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one is Cc1cc(-n2c(C)cc(C(=O)Cn3cnc4c(Cl)cc(Cl)cc4c3=O)c2C)no1.
What is the InChIKey of 6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is BYAASTZHCLNBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O3/c1-10-4-14(12(3)26(10)18-5-11(2)29-24-18)17(27)8-25-9-23-19-15(20(25)28)6-13(21)7-16(19)22/h4-7,9H,8H2,1-3H3.
What are the key properties of 6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 431.28 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 26919004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).