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

C18H16N4O — CID 25160505

IUPAC(2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCc1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C18H16N4O/c1-11-6-7-15-14(8-11)16(21-18(19)20-15)17(23)22-9-12-4-2-3-5-13(12)10-22/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyRWXYZHASEHQIIV-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.68
Rot. Bonds1

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

(2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 25160505) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is (2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID25160505
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name(2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCc1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C18H16N4O/c1-11-6-7-15-14(8-11)16(21-18(19)20-15)17(23)22-9-12-4-2-3-5-13(12)10-22/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyRWXYZHASEHQIIV-UHFFFAOYSA-N
XLogP2.68
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 25160505) is (2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is Cc1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1.
What is the InChIKey of (2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is RWXYZHASEHQIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-6-7-15-14(8-11)16(21-18(19)20-15)17(23)22-9-12-4-2-3-5-13(12)10-22/h2-8H,9-10H2,1H3,(H2,19,20,21).
What are the key properties of (2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 25160505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).