N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide

C21H23N3O3 — CID 51212553

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(C(NC(=O)Cn2cnc3ccccc3c2=O)C(C)C)cc1
InChIInChI=1S/C21H23N3O3/c1-14(2)20(15-8-10-16(27-3)11-9-15)23-19(25)12-24-13-22-18-7-5-4-6-17(18)21(24)26/h4-11,13-14,20H,12H2,1-3H3,(H,23,25)
InChIKeyDSPUZNIFXZSCNO-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.92
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 51212553) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID51212553
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(C(NC(=O)Cn2cnc3ccccc3c2=O)C(C)C)cc1
InChIInChI=1S/C21H23N3O3/c1-14(2)20(15-8-10-16(27-3)11-9-15)23-19(25)12-24-13-22-18-7-5-4-6-17(18)21(24)26/h4-11,13-14,20H,12H2,1-3H3,(H,23,25)
InChIKeyDSPUZNIFXZSCNO-UHFFFAOYSA-N
XLogP2.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287316
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55395238
2-(4-oxoquinazolin-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46423728
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 51286317
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
1-[(4-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
CID 9479013
2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 60533590
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9297441
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 51212553) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide is COc1ccc(C(NC(=O)Cn2cnc3ccccc3c2=O)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is DSPUZNIFXZSCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(2)20(15-8-10-16(27-3)11-9-15)23-19(25)12-24-13-22-18-7-5-4-6-17(18)21(24)26/h4-11,13-14,20H,12H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51212553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).