6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one

C18H16N4O3 — CID 70798738

IUPAC6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2ccc(-c3ccc4oc(N)nc4c3)cc2c1=O
InChIInChI=1S/C18H16N4O3/c1-24-7-6-22-10-20-14-4-2-11(8-13(14)17(22)23)12-3-5-16-15(9-12)21-18(19)25-16/h2-5,8-10H,6-7H2,1H3,(H2,19,21)
InChIKeyPHNKZDOYRKDKRZ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.43
Rot. Bonds4

About 6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one

6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 70798738) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID70798738
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2ccc(-c3ccc4oc(N)nc4c3)cc2c1=O
InChIInChI=1S/C18H16N4O3/c1-24-7-6-22-10-20-14-4-2-11(8-13(14)17(22)23)12-3-5-16-15(9-12)21-18(19)25-16/h2-5,8-10H,6-7H2,1H3,(H2,19,21)
InChIKeyPHNKZDOYRKDKRZ-UHFFFAOYSA-N
XLogP2.43
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one (CID 70798738) is 6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one is COCCn1cnc2ccc(-c3ccc4oc(N)nc4c3)cc2c1=O.
What is the InChIKey of 6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is PHNKZDOYRKDKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-24-7-6-22-10-20-14-4-2-11(8-13(14)17(22)23)12-3-5-16-15(9-12)21-18(19)25-16/h2-5,8-10H,6-7H2,1H3,(H2,19,21).
What are the key properties of 6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one?
6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 336.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 70798738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).