ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate

C14H12ClN3O3 — CID 44561388

IUPACethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c3ccc(Cl)cc3c(=O)n(C)c12
InChIInChI=1S/C14H12ClN3O3/c1-3-21-14(20)11-12-17(2)13(19)9-6-8(15)4-5-10(9)18(12)7-16-11/h4-7H,3H2,1-2H3
InChIKeyPKSKIVNMTHKBOS-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.02
Rot. Bonds2

About ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate

ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate (PubChem CID 44561388) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate
PubChem CID44561388
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Nameethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c3ccc(Cl)cc3c(=O)n(C)c12
InChIInChI=1S/C14H12ClN3O3/c1-3-21-14(20)11-12-17(2)13(19)9-6-8(15)4-5-10(9)18(12)7-16-11/h4-7H,3H2,1-2H3
InChIKeyPKSKIVNMTHKBOS-UHFFFAOYSA-N
XLogP2.02
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate (CID 44561388) is ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate is CCOC(=O)c1ncn2c3ccc(Cl)cc3c(=O)n(C)c12.
What is the InChIKey of ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is PKSKIVNMTHKBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-3-21-14(20)11-12-17(2)13(19)9-6-8(15)4-5-10(9)18(12)7-16-11/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate?
ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 305.72 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 44561388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).