2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one

C18H17N3O3 — CID 166387766

IUPAC2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(NCc3ccc4c(c3)COC4)nc12
InChIInChI=1S/C18H17N3O3/c1-23-15-4-2-3-14-16(15)20-18(21-17(14)22)19-8-11-5-6-12-9-24-10-13(12)7-11/h2-7H,8-10H2,1H3,(H2,19,20,21,22)
InChIKeyJGBVUUGEBDQJGX-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.57
Rot. Bonds4

About 2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one

2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one (PubChem CID 166387766) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one
PubChem CID166387766
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(NCc3ccc4c(c3)COC4)nc12
InChIInChI=1S/C18H17N3O3/c1-23-15-4-2-3-14-16(15)20-18(21-17(14)22)19-8-11-5-6-12-9-24-10-13(12)7-11/h2-7H,8-10H2,1H3,(H2,19,20,21,22)
InChIKeyJGBVUUGEBDQJGX-UHFFFAOYSA-N
XLogP2.57
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one (CID 166387766) is 2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one is COc1cccc2c(=O)[nH]c(NCc3ccc4c(c3)COC4)nc12.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one?
The InChIKey is JGBVUUGEBDQJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-4-2-3-14-16(15)20-18(21-17(14)22)19-8-11-5-6-12-9-24-10-13(12)7-11/h2-7H,8-10H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one?
2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one has a molecular weight of 323.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-ylmethylamino)-8-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 166387766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).