N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide

C17H22N4O4 — CID 136563804

IUPACN-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCN(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)C1
InChIInChI=1S/C17H22N4O4/c1-19-14-8-12(4-5-13(14)15(22)20(2)17(19)24)18-16(23)21-7-6-11(9-21)10-25-3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,23)
InChIKeyAZQWLWVVNPDHTG-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.74
Rot. Bonds3

About N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide

N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 136563804) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
PubChem CID136563804
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCN(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)C1
InChIInChI=1S/C17H22N4O4/c1-19-14-8-12(4-5-13(14)15(22)20(2)17(19)24)18-16(23)21-7-6-11(9-21)10-25-3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,23)
InChIKeyAZQWLWVVNPDHTG-UHFFFAOYSA-N
XLogP0.74
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide (CID 136563804) is N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide is COCC1CCN(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)C1.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is AZQWLWVVNPDHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-19-14-8-12(4-5-13(14)15(22)20(2)17(19)24)18-16(23)21-7-6-11(9-21)10-25-3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,23).
What are the key properties of N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136563804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).