3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione

C16H17N3O3 — CID 30804945

IUPAC3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESCN(C)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1ccco1
InChIInChI=1S/C16H17N3O3/c1-18(2)13(14-8-5-9-22-14)10-19-15(20)11-6-3-4-7-12(11)17-16(19)21/h3-9,13H,10H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyXESXJUSUOSKLBT-CYBMUJFWSA-N
MW299.33 g/mol
LogP1.59
Rot. Bonds4

About 3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione

3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione (PubChem CID 30804945) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione
PubChem CID30804945
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESCN(C)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1ccco1
InChIInChI=1S/C16H17N3O3/c1-18(2)13(14-8-5-9-22-14)10-19-15(20)11-6-3-4-7-12(11)17-16(19)21/h3-9,13H,10H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyXESXJUSUOSKLBT-CYBMUJFWSA-N
XLogP1.59
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione (CID 30804945) is 3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione is CN(C)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1ccco1.
What is the InChIKey of 3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is XESXJUSUOSKLBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-18(2)13(14-8-5-9-22-14)10-19-15(20)11-6-3-4-7-12(11)17-16(19)21/h3-9,13H,10H2,1-2H3,(H,17,21)/t13-/m1/s1.
What are the key properties of 3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione?
3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 299.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 30804945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).