6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one

C22H25N5O2 — CID 71037735

IUPAC6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one
SMILESCCN(CC)CCCn1cnc2ccc(-c3ccc4oc(N)nc4c3)cc2c1=O
InChIInChI=1S/C22H25N5O2/c1-3-26(4-2)10-5-11-27-14-24-18-8-6-15(12-17(18)21(27)28)16-7-9-20-19(13-16)25-22(23)29-20/h6-9,12-14H,3-5,10-11H2,1-2H3,(H2,23,25)
InChIKeyVESUNZNBWPBNRZ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.52
Rot. Bonds7

About 6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one

6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one (PubChem CID 71037735) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one
PubChem CID71037735
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one
SMILESCCN(CC)CCCn1cnc2ccc(-c3ccc4oc(N)nc4c3)cc2c1=O
InChIInChI=1S/C22H25N5O2/c1-3-26(4-2)10-5-11-27-14-24-18-8-6-15(12-17(18)21(27)28)16-7-9-20-19(13-16)25-22(23)29-20/h6-9,12-14H,3-5,10-11H2,1-2H3,(H2,23,25)
InChIKeyVESUNZNBWPBNRZ-UHFFFAOYSA-N
XLogP3.52
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.52
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-[3-(diethylamino)propyl]quinazolin-4-one?
The IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one (CID 71037735) is 6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one?
The canonical SMILES for 6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one is CCN(CC)CCCn1cnc2ccc(-c3ccc4oc(N)nc4c3)cc2c1=O.
What is the InChIKey of 6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one?
The InChIKey is VESUNZNBWPBNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-26(4-2)10-5-11-27-14-24-18-8-6-15(12-17(18)21(27)28)16-7-9-20-19(13-16)25-22(23)29-20/h6-9,12-14H,3-5,10-11H2,1-2H3,(H2,23,25).
What are the key properties of 6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one?
6-(2-amino-1,3-benzoxazol-5-yl)-3-[3-(diethylamino)propyl]quinazolin-4-one has a molecular weight of 391.48 g/mol, XLogP of 3.52, 7 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-[3-(diethylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 71037735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).