N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide

C20H21N3O2 — CID 12994903

IUPACN-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide
SMILESCCc1nc2ccccc2c(=O)n1NC(=O)C(CC)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-15(14-10-6-5-7-11-14)19(24)22-23-18(4-2)21-17-13-9-8-12-16(17)20(23)25/h5-13,15H,3-4H2,1-2H3,(H,22,24)
InChIKeyHLFBTAMMKFATRY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.22
Rot. Bonds5

About N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide

N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide (PubChem CID 12994903) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide
PubChem CID12994903
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide
SMILESCCc1nc2ccccc2c(=O)n1NC(=O)C(CC)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-15(14-10-6-5-7-11-14)19(24)22-23-18(4-2)21-17-13-9-8-12-16(17)20(23)25/h5-13,15H,3-4H2,1-2H3,(H,22,24)
InChIKeyHLFBTAMMKFATRY-UHFFFAOYSA-N
XLogP3.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylsulfanylquinazolin-3-yl)butanamide
CID 16722887
(2-ethyl-4-oxoquinazolin-3-yl)thiourea
CID 12516860
N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-2-phenylbutanamide
CID 2797243
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate
CID 23255841
1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70838560
2-ethyl-3-[(2-methylpropan-2-yl)oxyamino]quinazolin-4-one
CID 10659082
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
(2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide
CID 51896436
N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838498

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide?
The IUPAC name of N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide (CID 12994903) is N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide?
The canonical SMILES for N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide is CCc1nc2ccccc2c(=O)n1NC(=O)C(CC)c1ccccc1.
What is the InChIKey of N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide?
The InChIKey is HLFBTAMMKFATRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-15(14-10-6-5-7-11-14)19(24)22-23-18(4-2)21-17-13-9-8-12-16(17)20(23)25/h5-13,15H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide?
N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide has a molecular weight of 335.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide is sourced from PubChem (CID 12994903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).