2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide

C18H21N3O4 — CID 75464700

IUPAC2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide
SMILESCC(C)n1cnc2ccc(NC(=O)C3CC(=O)OC3(C)C)cc2c1=O
InChIInChI=1S/C18H21N3O4/c1-10(2)21-9-19-14-6-5-11(7-12(14)17(21)24)20-16(23)13-8-15(22)25-18(13,3)4/h5-7,9-10,13H,8H2,1-4H3,(H,20,23)
InChIKeyBBLCDNGFJRKCLG-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.26
Rot. Bonds3

About 2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide

2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide (PubChem CID 75464700) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide
PubChem CID75464700
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide
SMILESCC(C)n1cnc2ccc(NC(=O)C3CC(=O)OC3(C)C)cc2c1=O
InChIInChI=1S/C18H21N3O4/c1-10(2)21-9-19-14-6-5-11(7-12(14)17(21)24)20-16(23)13-8-15(22)25-18(13,3)4/h5-7,9-10,13H,8H2,1-4H3,(H,20,23)
InChIKeyBBLCDNGFJRKCLG-UHFFFAOYSA-N
XLogP2.26
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide?
The IUPAC name of 2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide (CID 75464700) is 2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide.
What is the SMILES notation for 2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide?
The canonical SMILES for 2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide is CC(C)n1cnc2ccc(NC(=O)C3CC(=O)OC3(C)C)cc2c1=O.
What is the InChIKey of 2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide?
The InChIKey is BBLCDNGFJRKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-10(2)21-9-19-14-6-5-11(7-12(14)17(21)24)20-16(23)13-8-15(22)25-18(13,3)4/h5-7,9-10,13H,8H2,1-4H3,(H,20,23).
What are the key properties of 2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide?
2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide is sourced from PubChem (CID 75464700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).