1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride

C20H20ClN3O2 — CID 23225531

IUPAC1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride
SMILESCc1cc2c(=O)[nH]c(=O)n(C(C)c3[nH]cc4ccccc34)c2cc1C.Cl
InChIInChI=1S/C20H19N3O2.ClH/c1-11-8-16-17(9-12(11)2)23(20(25)22-19(16)24)13(3)18-15-7-5-4-6-14(15)10-21-18;/h4-10,13,21H,1-3H3,(H,22,24,25);1H
InChIKeyRDUFEYQVFBLSMJ-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.82
Rot. Bonds2

About 1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride

1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride (PubChem CID 23225531) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride
PubChem CID23225531
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride
SMILESCc1cc2c(=O)[nH]c(=O)n(C(C)c3[nH]cc4ccccc34)c2cc1C.Cl
InChIInChI=1S/C20H19N3O2.ClH/c1-11-8-16-17(9-12(11)2)23(20(25)22-19(16)24)13(3)18-15-7-5-4-6-14(15)10-21-18;/h4-10,13,21H,1-3H3,(H,22,24,25);1H
InChIKeyRDUFEYQVFBLSMJ-UHFFFAOYSA-N
XLogP3.82
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride?
The IUPAC name of 1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride (CID 23225531) is 1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride.
What is the SMILES notation for 1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride?
The canonical SMILES for 1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride is Cc1cc2c(=O)[nH]c(=O)n(C(C)c3[nH]cc4ccccc34)c2cc1C.Cl.
What is the InChIKey of 1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride?
The InChIKey is RDUFEYQVFBLSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2.ClH/c1-11-8-16-17(9-12(11)2)23(20(25)22-19(16)24)13(3)18-15-7-5-4-6-14(15)10-21-18;/h4-10,13,21H,1-3H3,(H,22,24,25);1H.
What are the key properties of 1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride?
1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2H-isoindol-1-yl)ethyl]-6,7-dimethylquinazoline-2,4-dione;hydrochloride is sourced from PubChem (CID 23225531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).