2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one

C19H20ClN3O — CID 22238798

IUPAC2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
SMILESCC(C)C(N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H20ClN3O/c1-12(2)17(21)18-22-16-10-14(20)8-9-15(16)19(24)23(18)11-13-6-4-3-5-7-13/h3-10,12,17H,11,21H2,1-2H3
InChIKeyOWYDWUOOPZRGNZ-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.75
Rot. Bonds4

About 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one

2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one (PubChem CID 22238798) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
PubChem CID22238798
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
SMILESCC(C)C(N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H20ClN3O/c1-12(2)17(21)18-22-16-10-14(20)8-9-15(16)19(24)23(18)11-13-6-4-3-5-7-13/h3-10,12,17H,11,21H2,1-2H3
InChIKeyOWYDWUOOPZRGNZ-UHFFFAOYSA-N
XLogP3.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one?
The IUPAC name of 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one (CID 22238798) is 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one is CC(C)C(N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one?
The InChIKey is OWYDWUOOPZRGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-12(2)17(21)18-22-16-10-14(20)8-9-15(16)19(24)23(18)11-13-6-4-3-5-7-13/h3-10,12,17H,11,21H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one?
2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one has a molecular weight of 341.84 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one is sourced from PubChem (CID 22238798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).