[2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone

C24H20N4O2 — CID 56943443

IUPAC[2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3CO)ccc2n1
InChIInChI=1S/C24H20N4O2/c25-24-26-21-10-9-15(19-8-4-3-7-18(19)14-29)11-20(21)22(27-24)23(30)28-12-16-5-1-2-6-17(16)13-28/h1-11,29H,12-14H2,(H2,25,26,27)
InChIKeyGLKIJTZPNYVZMA-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.53
Rot. Bonds3

About [2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone

[2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 56943443) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is [2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name[2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID56943443
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name[2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3CO)ccc2n1
InChIInChI=1S/C24H20N4O2/c25-24-26-21-10-9-15(19-8-4-3-7-18(19)14-29)11-20(21)22(27-24)23(30)28-12-16-5-1-2-6-17(16)13-28/h1-11,29H,12-14H2,(H2,25,26,27)
InChIKeyGLKIJTZPNYVZMA-UHFFFAOYSA-N
XLogP3.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of [2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone (CID 56943443) is [2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for [2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for [2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone is Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3CO)ccc2n1.
What is the InChIKey of [2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is GLKIJTZPNYVZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c25-24-26-21-10-9-15(19-8-4-3-7-18(19)14-29)11-20(21)22(27-24)23(30)28-12-16-5-1-2-6-17(16)13-28/h1-11,29H,12-14H2,(H2,25,26,27).
What are the key properties of [2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone?
[2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 396.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 56943443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).