7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one

C17H14ClN3O2 — CID 149172130

IUPAC7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one
SMILESO=c1nc(NC2COC2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C17H14ClN3O2/c18-11-6-7-14-15(8-11)21(13-4-2-1-3-5-13)17(22)20-16(14)19-12-9-23-10-12/h1-8,12H,9-10H2,(H,19,20,22)
InChIKeyWZGNHSQFYWBUSY-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.85
Rot. Bonds3

About 7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one

7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one (PubChem CID 149172130) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one
PubChem CID149172130
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one
SMILESO=c1nc(NC2COC2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C17H14ClN3O2/c18-11-6-7-14-15(8-11)21(13-4-2-1-3-5-13)17(22)20-16(14)19-12-9-23-10-12/h1-8,12H,9-10H2,(H,19,20,22)
InChIKeyWZGNHSQFYWBUSY-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one?
The IUPAC name of 7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one (CID 149172130) is 7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one.
What is the SMILES notation for 7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one?
The canonical SMILES for 7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one is O=c1nc(NC2COC2)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one?
The InChIKey is WZGNHSQFYWBUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-11-6-7-14-15(8-11)21(13-4-2-1-3-5-13)17(22)20-16(14)19-12-9-23-10-12/h1-8,12H,9-10H2,(H,19,20,22).
What are the key properties of 7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one?
7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one has a molecular weight of 327.77 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one is sourced from PubChem (CID 149172130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).