methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate

C17H16N2O4 — CID 49152338

IUPACmethyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1cc(Cn2cnc3ccc(C)cc3c2=O)c(C)o1
InChIInChI=1S/C17H16N2O4/c1-10-4-5-14-13(6-10)16(20)19(9-18-14)8-12-7-15(17(21)22-3)23-11(12)2/h4-7,9H,8H2,1-3H3
InChIKeyCBBFPGSQEIAZHM-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.44
Rot. Bonds3

About methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate

methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate (PubChem CID 49152338) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate
PubChem CID49152338
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1cc(Cn2cnc3ccc(C)cc3c2=O)c(C)o1
InChIInChI=1S/C17H16N2O4/c1-10-4-5-14-13(6-10)16(20)19(9-18-14)8-12-7-15(17(21)22-3)23-11(12)2/h4-7,9H,8H2,1-3H3
InChIKeyCBBFPGSQEIAZHM-UHFFFAOYSA-N
XLogP2.44
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate (CID 49152338) is methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate is COC(=O)c1cc(Cn2cnc3ccc(C)cc3c2=O)c(C)o1.
What is the InChIKey of methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate?
The InChIKey is CBBFPGSQEIAZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-10-4-5-14-13(6-10)16(20)19(9-18-14)8-12-7-15(17(21)22-3)23-11(12)2/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate?
methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 49152338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).