N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide

C22H19N3O2 — CID 41064100

IUPACN-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H19N3O2/c1-15(26)23-17-11-13-18(14-12-17)25-21(16-7-3-2-4-8-16)24-20-10-6-5-9-19(20)22(25)27/h2-14,21,24H,1H3,(H,23,26)/t21-/m0/s1
InChIKeyAMEHJRLWJAKVHN-NRFANRHFSA-N
MW357.41 g/mol
LogP4.42
Rot. Bonds3

About N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide

N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide (PubChem CID 41064100) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
PubChem CID41064100
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H19N3O2/c1-15(26)23-17-11-13-18(14-12-17)25-21(16-7-3-2-4-8-16)24-20-10-6-5-9-19(20)22(25)27/h2-14,21,24H,1H3,(H,23,26)/t21-/m0/s1
InChIKeyAMEHJRLWJAKVHN-NRFANRHFSA-N
XLogP4.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide (CID 41064100) is N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
The InChIKey is AMEHJRLWJAKVHN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15(26)23-17-11-13-18(14-12-17)25-21(16-7-3-2-4-8-16)24-20-10-6-5-9-19(20)22(25)27/h2-14,21,24H,1H3,(H,23,26)/t21-/m0/s1.
What are the key properties of N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 41064100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).