2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C19H21N3O — CID 663860

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(N3CCc4ccccc4C3)nc2C1
InChIInChI=1S/C19H21N3O/c1-19(2)9-16-15(17(23)10-19)11-20-18(21-16)22-8-7-13-5-3-4-6-14(13)12-22/h3-6,11H,7-10,12H2,1-2H3
InChIKeyHNSYBCDLIHNGBD-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.19
Rot. Bonds1

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 663860) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID663860
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(N3CCc4ccccc4C3)nc2C1
InChIInChI=1S/C19H21N3O/c1-19(2)9-16-15(17(23)10-19)11-20-18(21-16)22-8-7-13-5-3-4-6-14(13)12-22/h3-6,11H,7-10,12H2,1-2H3
InChIKeyHNSYBCDLIHNGBD-UHFFFAOYSA-N
XLogP3.19
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 663860) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(N3CCc4ccccc4C3)nc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is HNSYBCDLIHNGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(2)9-16-15(17(23)10-19)11-20-18(21-16)22-8-7-13-5-3-4-6-14(13)12-22/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 307.40 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 663860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).