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

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

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Related Compounds

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
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 4809023
6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 8506237
3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
CID 47357057
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7587513
N-[3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 46817909
6-chloro-3-[2-(4-nitrophenyl)-2-oxoethyl]quinazolin-4-one
CID 4997929
butyl 2-(6-chloro-4-oxoquinazolin-3-yl)acetate
CID 78791515
2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 30214253

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).