methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate

C19H19N3O4 — CID 46484191

IUPACmethyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3ccc(C)cc3c2=O)c1C
InChIInChI=1S/C19H19N3O4/c1-10-5-6-14-13(7-10)18(24)22(9-20-14)8-15(23)17-11(2)16(12(3)21-17)19(25)26-4/h5-7,9,21H,8H2,1-4H3
InChIKeyDAQJHRVMCMCKDE-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.32
Rot. Bonds4

About methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate

methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate (PubChem CID 46484191) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate
PubChem CID46484191
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Namemethyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3ccc(C)cc3c2=O)c1C
InChIInChI=1S/C19H19N3O4/c1-10-5-6-14-13(7-10)18(24)22(9-20-14)8-15(23)17-11(2)16(12(3)21-17)19(25)26-4/h5-7,9,21H,8H2,1-4H3
InChIKeyDAQJHRVMCMCKDE-UHFFFAOYSA-N
XLogP2.32
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 41405073
methyl 2,4-dimethyl-5-[2-[2-(4-oxoquinazolin-3-yl)acetyl]oxypropanoyl]-1H-pyrrole-3-carboxylate
CID 55321286
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
CID 46484257
3-(3,3-dimethyl-2-oxobutyl)-6-methylquinazolin-4-one
CID 47037899
6-methyl-3-(methylaminomethyl)quinazolin-4-one
CID 117264007
methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate
CID 49152338
6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7488393
3-ethyl-6-methylquinazolin-4-one
CID 70641598
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 155755483
5-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 78793434
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 55733123
N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46484188

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate (CID 46484191) is methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3ccc(C)cc3c2=O)c1C.
What is the InChIKey of methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate?
The InChIKey is DAQJHRVMCMCKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-10-5-6-14-13(7-10)18(24)22(9-20-14)8-15(23)17-11(2)16(12(3)21-17)19(25)26-4/h5-7,9,21H,8H2,1-4H3.
What are the key properties of methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate?
methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 46484191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).