6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete

C16H19ClN2O2 — CID 67873488

IUPAC6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete
SMILESC1=COC1.CN1C(=O)Nc2ccc(Cl)cc2C1(C)C1CC1
InChIInChI=1S/C13H15ClN2O.C3H4O/c1-13(8-3-4-8)10-7-9(14)5-6-11(10)15-12(17)16(13)2;1-2-4-3-1/h5-8H,3-4H2,1-2H3,(H,15,17);1-2H,3H2
InChIKeyZEAUPDLOZVWRDK-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.97
Rot. Bonds1

About 6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete

6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete (PubChem CID 67873488) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete.

Molecular Properties

Compound Name6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete
PubChem CID67873488
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete
SMILESC1=COC1.CN1C(=O)Nc2ccc(Cl)cc2C1(C)C1CC1
InChIInChI=1S/C13H15ClN2O.C3H4O/c1-13(8-3-4-8)10-7-9(14)5-6-11(10)15-12(17)16(13)2;1-2-4-3-1/h5-8H,3-4H2,1-2H3,(H,15,17);1-2H,3H2
InChIKeyZEAUPDLOZVWRDK-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete?
The IUPAC name of 6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete (CID 67873488) is 6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete.
What is the SMILES notation for 6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete?
The canonical SMILES for 6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete is C1=COC1.CN1C(=O)Nc2ccc(Cl)cc2C1(C)C1CC1.
What is the InChIKey of 6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete?
The InChIKey is ZEAUPDLOZVWRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O.C3H4O/c1-13(8-3-4-8)10-7-9(14)5-6-11(10)15-12(17)16(13)2;1-2-4-3-1/h5-8H,3-4H2,1-2H3,(H,15,17);1-2H,3H2.
What are the key properties of 6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete?
6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete has a molecular weight of 306.79 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete is sourced from PubChem (CID 67873488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).