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

C19H15ClN4O3 — CID 8901989

IUPAC6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1-c1ccon1
InChIInChI=1S/C19H15ClN4O3/c1-11-7-14(12(2)24(11)18-5-6-27-22-18)17(25)9-23-10-21-16-4-3-13(20)8-15(16)19(23)26/h3-8,10H,9H2,1-2H3
InChIKeyBIMFDVKOMFACGC-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.33
Rot. Bonds4

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

6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 8901989) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID8901989
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Name6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1-c1ccon1
InChIInChI=1S/C19H15ClN4O3/c1-11-7-14(12(2)24(11)18-5-6-27-22-18)17(25)9-23-10-21-16-4-3-13(20)8-15(16)19(23)26/h3-8,10H,9H2,1-2H3
InChIKeyBIMFDVKOMFACGC-UHFFFAOYSA-N
XLogP3.33
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one (CID 8901989) is 6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one is Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1-c1ccon1.
What is the InChIKey of 6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is BIMFDVKOMFACGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-11-7-14(12(2)24(11)18-5-6-27-22-18)17(25)9-23-10-21-16-4-3-13(20)8-15(16)19(23)26/h3-8,10H,9H2,1-2H3.
What are the key properties of 6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 382.81 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 8901989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).