methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate

C24H25N3O4 — CID 172874952

IUPACmethyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate
SMILESCCC(C(=O)OC)n1c(=O)c2ccccc2n(Cc2cn(C)c3cccc(C)c23)c1=O
InChIInChI=1S/C24H25N3O4/c1-5-18(23(29)31-4)27-22(28)17-10-6-7-11-19(17)26(24(27)30)14-16-13-25(3)20-12-8-9-15(2)21(16)20/h6-13,18H,5,14H2,1-4H3
InChIKeyVZTHSNCTTRCPEI-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.14
Rot. Bonds5

About methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate

methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate (PubChem CID 172874952) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate.

Molecular Properties

Compound Namemethyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate
PubChem CID172874952
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Namemethyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate
SMILESCCC(C(=O)OC)n1c(=O)c2ccccc2n(Cc2cn(C)c3cccc(C)c23)c1=O
InChIInChI=1S/C24H25N3O4/c1-5-18(23(29)31-4)27-22(28)17-10-6-7-11-19(17)26(24(27)30)14-16-13-25(3)20-12-8-9-15(2)21(16)20/h6-13,18H,5,14H2,1-4H3
InChIKeyVZTHSNCTTRCPEI-UHFFFAOYSA-N
XLogP3.14
TPSA75.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate?
The IUPAC name of methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate (CID 172874952) is methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate.
What is the SMILES notation for methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate?
The canonical SMILES for methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate is CCC(C(=O)OC)n1c(=O)c2ccccc2n(Cc2cn(C)c3cccc(C)c23)c1=O.
What is the InChIKey of methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate?
The InChIKey is VZTHSNCTTRCPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-5-18(23(29)31-4)27-22(28)17-10-6-7-11-19(17)26(24(27)30)14-16-13-25(3)20-12-8-9-15(2)21(16)20/h6-13,18H,5,14H2,1-4H3.
What are the key properties of methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate?
methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate has a molecular weight of 419.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(1,4-dimethylindol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]butanoate is sourced from PubChem (CID 172874952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).