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

C24H19FN4O2 — CID 56943445

IUPAC[2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccc(F)cc3CO)ccc2n1
InChIInChI=1S/C24H19FN4O2/c25-18-6-7-19(17(9-18)13-30)14-5-8-21-20(10-14)22(28-24(26)27-21)23(31)29-11-15-3-1-2-4-16(15)12-29/h1-10,30H,11-13H2,(H2,26,27,28)
InChIKeyIMNHXAFAHMFXPA-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.67
Rot. Bonds3

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

[2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 56943445) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is [2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name[2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID56943445
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name[2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccc(F)cc3CO)ccc2n1
InChIInChI=1S/C24H19FN4O2/c25-18-6-7-19(17(9-18)13-30)14-5-8-21-20(10-14)22(28-24(26)27-21)23(31)29-11-15-3-1-2-4-16(15)12-29/h1-10,30H,11-13H2,(H2,26,27,28)
InChIKeyIMNHXAFAHMFXPA-UHFFFAOYSA-N
XLogP3.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of [2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone (CID 56943445) is [2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for [2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for [2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone is Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccc(F)cc3CO)ccc2n1.
What is the InChIKey of [2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is IMNHXAFAHMFXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-18-6-7-19(17(9-18)13-30)14-5-8-21-20(10-14)22(28-24(26)27-21)23(31)29-11-15-3-1-2-4-16(15)12-29/h1-10,30H,11-13H2,(H2,26,27,28).
What are the key properties of [2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone?
[2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 414.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[4-fluoro-2-(hydroxymethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 56943445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).