2-(2-iminochromen-3-yl)-3H-quinazolin-4-one

C17H11N3O2 — CID 135449176

IUPAC2-(2-iminochromen-3-yl)-3H-quinazolin-4-one
SMILES[H]/N=c1\oc2ccccc2cc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H11N3O2/c18-15-12(9-10-5-1-4-8-14(10)22-15)16-19-13-7-3-2-6-11(13)17(21)20-16/h1-9,18H,(H,19,20,21)/b18-15-
InChIKeyIOHWHJVTNWBILZ-SDXDJHTJSA-N
MW289.29 g/mol
LogP2.82
Rot. Bonds1

About 2-(2-iminochromen-3-yl)-3H-quinazolin-4-one

2-(2-iminochromen-3-yl)-3H-quinazolin-4-one (PubChem CID 135449176) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(2-iminochromen-3-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-iminochromen-3-yl)-3H-quinazolin-4-one
PubChem CID135449176
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name2-(2-iminochromen-3-yl)-3H-quinazolin-4-one
SMILES[H]/N=c1\oc2ccccc2cc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H11N3O2/c18-15-12(9-10-5-1-4-8-14(10)22-15)16-19-13-7-3-2-6-11(13)17(21)20-16/h1-9,18H,(H,19,20,21)/b18-15-
InChIKeyIOHWHJVTNWBILZ-SDXDJHTJSA-N
XLogP2.82
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iminochromen-3-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-iminochromen-3-yl)-3H-quinazolin-4-one (CID 135449176) is 2-(2-iminochromen-3-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-iminochromen-3-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-iminochromen-3-yl)-3H-quinazolin-4-one is [H]/N=c1\oc2ccccc2cc1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(2-iminochromen-3-yl)-3H-quinazolin-4-one?
The InChIKey is IOHWHJVTNWBILZ-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H11N3O2/c18-15-12(9-10-5-1-4-8-14(10)22-15)16-19-13-7-3-2-6-11(13)17(21)20-16/h1-9,18H,(H,19,20,21)/b18-15-.
What are the key properties of 2-(2-iminochromen-3-yl)-3H-quinazolin-4-one?
2-(2-iminochromen-3-yl)-3H-quinazolin-4-one has a molecular weight of 289.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminochromen-3-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135449176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).