2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one

C16H21N3O2 — CID 137262145

IUPAC2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one
SMILESCC1(C)CC(Nc2nc3ccccc3c(=O)[nH]2)C(C)(C)O1
InChIInChI=1S/C16H21N3O2/c1-15(2)9-12(16(3,4)21-15)18-14-17-11-8-6-5-7-10(11)13(20)19-14/h5-8,12H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyOBXIYYXJTWOZEJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.68
Rot. Bonds2

About 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one

2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one (PubChem CID 137262145) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one
PubChem CID137262145
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one
SMILESCC1(C)CC(Nc2nc3ccccc3c(=O)[nH]2)C(C)(C)O1
InChIInChI=1S/C16H21N3O2/c1-15(2)9-12(16(3,4)21-15)18-14-17-11-8-6-5-7-10(11)13(20)19-14/h5-8,12H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyOBXIYYXJTWOZEJ-UHFFFAOYSA-N
XLogP2.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one (CID 137262145) is 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one is CC1(C)CC(Nc2nc3ccccc3c(=O)[nH]2)C(C)(C)O1.
What is the InChIKey of 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one?
The InChIKey is OBXIYYXJTWOZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-15(2)9-12(16(3,4)21-15)18-14-17-11-8-6-5-7-10(11)13(20)19-14/h5-8,12H,9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one?
2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one has a molecular weight of 287.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 137262145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).