(2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone

C19H16N4O — CID 59483438

IUPAC(2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESC=Cc1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C19H16N4O/c1-2-12-7-8-16-15(9-12)17(22-19(20)21-16)18(24)23-10-13-5-3-4-6-14(13)11-23/h2-9H,1,10-11H2,(H2,20,21,22)
InChIKeyMMKHROYHQPMFTP-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.01
Rot. Bonds2

About (2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone

(2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 59483438) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is (2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID59483438
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name(2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESC=Cc1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C19H16N4O/c1-2-12-7-8-16-15(9-12)17(22-19(20)21-16)18(24)23-10-13-5-3-4-6-14(13)11-23/h2-9H,1,10-11H2,(H2,20,21,22)
InChIKeyMMKHROYHQPMFTP-UHFFFAOYSA-N
XLogP3.01
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 59483438) is (2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is C=Cc1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1.
What is the InChIKey of (2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is MMKHROYHQPMFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-12-7-8-16-15(9-12)17(22-19(20)21-16)18(24)23-10-13-5-3-4-6-14(13)11-23/h2-9H,1,10-11H2,(H2,20,21,22).
What are the key properties of (2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 59483438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).