(2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone

C17H14N4O — CID 25160373

IUPAC(2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2ccccc2n1
InChIInChI=1S/C17H14N4O/c18-17-19-14-8-4-3-7-13(14)15(20-17)16(22)21-9-11-5-1-2-6-12(11)10-21/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyYQRDZESTWPAISV-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.37
Rot. Bonds1

About (2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone

(2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 25160373) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is (2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID25160373
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name(2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2ccccc2n1
InChIInChI=1S/C17H14N4O/c18-17-19-14-8-4-3-7-13(14)15(20-17)16(22)21-9-11-5-1-2-6-12(11)10-21/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyYQRDZESTWPAISV-UHFFFAOYSA-N
XLogP2.37
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 25160373) is (2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is Nc1nc(C(=O)N2Cc3ccccc3C2)c2ccccc2n1.
What is the InChIKey of (2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is YQRDZESTWPAISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-17-19-14-8-4-3-7-13(14)15(20-17)16(22)21-9-11-5-1-2-6-12(11)10-21/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of (2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 290.33 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 25160373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).