N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide

C21H23N3O2 — CID 42711039

IUPACN-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C21H23N3O2/c1-4-19(25)24(14-16-10-6-5-7-11-16)15(2)20-22-18-13-9-8-12-17(18)21(26)23(20)3/h5-13,15H,4,14H2,1-3H3
InChIKeyWQLLQZKLPPLBKE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.43
Rot. Bonds5

About N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide

N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide (PubChem CID 42711039) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide
PubChem CID42711039
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C21H23N3O2/c1-4-19(25)24(14-16-10-6-5-7-11-16)15(2)20-22-18-13-9-8-12-17(18)21(26)23(20)3/h5-13,15H,4,14H2,1-3H3
InChIKeyWQLLQZKLPPLBKE-UHFFFAOYSA-N
XLogP3.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
CID 42711543
N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42720540
N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42717045
N-ethyl-3,3-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 42711283
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide
CID 42715387
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
3-butyl-1-[2-(dimethylamino)ethyl]-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42714274
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517
3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42712537
N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]octanamide
CID 42721895
(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide
CID 7361866

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide?
The IUPAC name of N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide (CID 42711039) is N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide.
What is the SMILES notation for N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide?
The canonical SMILES for N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide is CCC(=O)N(Cc1ccccc1)C(C)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide?
The InChIKey is WQLLQZKLPPLBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-19(25)24(14-16-10-6-5-7-11-16)15(2)20-22-18-13-9-8-12-17(18)21(26)23(20)3/h5-13,15H,4,14H2,1-3H3.
What are the key properties of N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide?
N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide is sourced from PubChem (CID 42711039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).