N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide

C18H17N3O2 — CID 25298269

IUPACN-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
SMILESCN(C(=O)CCn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-20(14-7-3-2-4-8-14)17(22)11-12-21-13-19-16-10-6-5-9-15(16)18(21)23/h2-10,13H,11-12H2,1H3
InChIKeyROWXXUSEEFBMLW-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.45
Rot. Bonds4

About N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide

N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide (PubChem CID 25298269) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
PubChem CID25298269
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
SMILESCN(C(=O)CCn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-20(14-7-3-2-4-8-14)17(22)11-12-21-13-19-16-10-6-5-9-15(16)18(21)23/h2-10,13H,11-12H2,1H3
InChIKeyROWXXUSEEFBMLW-UHFFFAOYSA-N
XLogP2.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide?
The IUPAC name of N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide (CID 25298269) is N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide.
What is the SMILES notation for N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide?
The canonical SMILES for N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide is CN(C(=O)CCn1cnc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide?
The InChIKey is ROWXXUSEEFBMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-20(14-7-3-2-4-8-14)17(22)11-12-21-13-19-16-10-6-5-9-15(16)18(21)23/h2-10,13H,11-12H2,1H3.
What are the key properties of N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide?
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide has a molecular weight of 307.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide is sourced from PubChem (CID 25298269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).