N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide

C21H21N3O2 — CID 648444

IUPACN-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide
SMILESCCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C21H21N3O2/c1-2-19(25)22-16-10-11-18-17(12-16)21(26)24(20(23-18)15-8-9-15)13-14-6-4-3-5-7-14/h3-7,10-12,15H,2,8-9,13H2,1H3,(H,22,25)
InChIKeyAALZMEJKDFVAIZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.67
Rot. Bonds5

About N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide

N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide (PubChem CID 648444) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide
PubChem CID648444
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide
SMILESCCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C21H21N3O2/c1-2-19(25)22-16-10-11-18-17(12-16)21(26)24(20(23-18)15-8-9-15)13-14-6-4-3-5-7-14/h3-7,10-12,15H,2,8-9,13H2,1H3,(H,22,25)
InChIKeyAALZMEJKDFVAIZ-UHFFFAOYSA-N
XLogP3.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide?
The IUPAC name of N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide (CID 648444) is N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide.
What is the SMILES notation for N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide?
The canonical SMILES for N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide is CCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1.
What is the InChIKey of N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide?
The InChIKey is AALZMEJKDFVAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-19(25)22-16-10-11-18-17(12-16)21(26)24(20(23-18)15-8-9-15)13-14-6-4-3-5-7-14/h3-7,10-12,15H,2,8-9,13H2,1H3,(H,22,25).
What are the key properties of N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide?
N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)propanamide is sourced from PubChem (CID 648444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).