N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide

C19H19N3O2 — CID 68604098

IUPACN-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide
SMILESCNC(=O)c1ccc(-c2ccc3ncnc(OC(C)C)c3c2)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)24-19-16-10-15(8-9-17(16)21-11-22-19)13-4-6-14(7-5-13)18(23)20-3/h4-12H,1-3H3,(H,20,23)
InChIKeyCIONYSCVKLYIRS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.44
Rot. Bonds4

About N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide

N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide (PubChem CID 68604098) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide
PubChem CID68604098
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide
SMILESCNC(=O)c1ccc(-c2ccc3ncnc(OC(C)C)c3c2)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)24-19-16-10-15(8-9-17(16)21-11-22-19)13-4-6-14(7-5-13)18(23)20-3/h4-12H,1-3H3,(H,20,23)
InChIKeyCIONYSCVKLYIRS-UHFFFAOYSA-N
XLogP3.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide?
The IUPAC name of N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide (CID 68604098) is N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide.
What is the SMILES notation for N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide?
The canonical SMILES for N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide is CNC(=O)c1ccc(-c2ccc3ncnc(OC(C)C)c3c2)cc1.
What is the InChIKey of N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide?
The InChIKey is CIONYSCVKLYIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)24-19-16-10-15(8-9-17(16)21-11-22-19)13-4-6-14(7-5-13)18(23)20-3/h4-12H,1-3H3,(H,20,23).
What are the key properties of N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide?
N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-propan-2-yloxyquinazolin-6-yl)benzamide is sourced from PubChem (CID 68604098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).