N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide

C23H22N4O2 — CID 69451982

IUPACN-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccccc1C1CC(=O)c2c(C)nc(N)nc2C1
InChIInChI=1S/C23H22N4O2/c1-13-22-20(27-23(24)25-13)11-15(12-21(22)29)16-7-3-4-8-17(16)18-9-5-6-10-19(18)26-14(2)28/h3-10,15H,11-12H2,1-2H3,(H,26,28)(H2,24,25,27)
InChIKeyYDXSTUJIQCCPBI-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.91
Rot. Bonds3

About N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide

N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide (PubChem CID 69451982) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide
PubChem CID69451982
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccccc1C1CC(=O)c2c(C)nc(N)nc2C1
InChIInChI=1S/C23H22N4O2/c1-13-22-20(27-23(24)25-13)11-15(12-21(22)29)16-7-3-4-8-17(16)18-9-5-6-10-19(18)26-14(2)28/h3-10,15H,11-12H2,1-2H3,(H,26,28)(H2,24,25,27)
InChIKeyYDXSTUJIQCCPBI-UHFFFAOYSA-N
XLogP3.91
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide?
The IUPAC name of N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide (CID 69451982) is N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccccc1C1CC(=O)c2c(C)nc(N)nc2C1.
What is the InChIKey of N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide?
The InChIKey is YDXSTUJIQCCPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-13-22-20(27-23(24)25-13)11-15(12-21(22)29)16-7-3-4-8-17(16)18-9-5-6-10-19(18)26-14(2)28/h3-10,15H,11-12H2,1-2H3,(H,26,28)(H2,24,25,27).
What are the key properties of N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide?
N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide has a molecular weight of 386.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 69451982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).