N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide

C25H26N4O2 — CID 18887543

IUPACN-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide
SMILESCN(C)c1ccc(C2Nc3ccccc3C(=O)N2NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C25H26N4O2/c1-28(2)20-15-13-19(14-16-20)24-26-22-11-7-6-10-21(22)25(31)29(24)27-23(30)17-12-18-8-4-3-5-9-18/h3-11,13-16,24,26H,12,17H2,1-2H3,(H,27,30)
InChIKeyNKLWJMWQEXEOLN-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.98
Rot. Bonds6

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

N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide (PubChem CID 18887543) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide
PubChem CID18887543
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide
SMILESCN(C)c1ccc(C2Nc3ccccc3C(=O)N2NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C25H26N4O2/c1-28(2)20-15-13-19(14-16-20)24-26-22-11-7-6-10-21(22)25(31)29(24)27-23(30)17-12-18-8-4-3-5-9-18/h3-11,13-16,24,26H,12,17H2,1-2H3,(H,27,30)
InChIKeyNKLWJMWQEXEOLN-UHFFFAOYSA-N
XLogP3.98
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887544
2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778083
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18886893
N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18887257
(2R)-2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009003
2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 42915079
N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide
CID 18887526
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18886992
N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887339
N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
CID 18887047
2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 5084249
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18887081

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide (CID 18887543) is N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide is CN(C)c1ccc(C2Nc3ccccc3C(=O)N2NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide?
The InChIKey is NKLWJMWQEXEOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-28(2)20-15-13-19(14-16-20)24-26-22-11-7-6-10-21(22)25(31)29(24)27-23(30)17-12-18-8-4-3-5-9-18/h3-11,13-16,24,26H,12,17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide?
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide has a molecular weight of 414.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 18887543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).