2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide

C22H25N3O — CID 24956249

IUPAC2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cc1nc(-c2ccccc2)nc2ccccc12)C(C)C
InChIInChI=1S/C22H25N3O/c1-15(2)25(16(3)4)21(26)14-20-18-12-8-9-13-19(18)23-22(24-20)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3
InChIKeyLYRAICSKSQZHQK-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.48
Rot. Bonds5

About 2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide

2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 24956249) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID24956249
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cc1nc(-c2ccccc2)nc2ccccc12)C(C)C
InChIInChI=1S/C22H25N3O/c1-15(2)25(16(3)4)21(26)14-20-18-12-8-9-13-19(18)23-22(24-20)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3
InChIKeyLYRAICSKSQZHQK-UHFFFAOYSA-N
XLogP4.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol
CID 133274770
4-pentyl-2-phenylquinazoline
CID 122226497
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3505299
N,N-dimethyl-2-phenylquinazolin-4-amine;ethane
CID 90692707
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide
CID 21283668
N-[4-(4-phenylquinazolin-2-yl)phenyl]acetamide
CID 4523406
N,N,N'-trimethyl-N'-(2-phenylquinazolin-4-yl)ethane-1,2-diamine
CID 56670000
3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide
CID 42809222
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3908699
N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride
CID 21283571

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide (CID 24956249) is 2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cc1nc(-c2ccccc2)nc2ccccc12)C(C)C.
What is the InChIKey of 2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is LYRAICSKSQZHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15(2)25(16(3)4)21(26)14-20-18-12-8-9-13-19(18)23-22(24-20)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3.
What are the key properties of 2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide?
2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 24956249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).