N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C25H23N3O2 — CID 39776780

IUPACN-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H23N3O2/c1-3-27(17-19-9-5-4-6-10-19)24(29)20-13-15-21(16-14-20)28-18(2)26-23-12-8-7-11-22(23)25(28)30/h4-16H,3,17H2,1-2H3
InChIKeyKYGDIUXRYPHMLO-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.36
Rot. Bonds5

About N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 39776780) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID39776780
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H23N3O2/c1-3-27(17-19-9-5-4-6-10-19)24(29)20-13-15-21(16-14-20)28-18(2)26-23-12-8-7-11-22(23)25(28)30/h4-16H,3,17H2,1-2H3
InChIKeyKYGDIUXRYPHMLO-UHFFFAOYSA-N
XLogP4.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-4-(2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 78821809
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38531982
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86971546
1-benzyl-3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiourea
CID 35785421
N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide
CID 43020410
N-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55368453
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylquinazolin-4-one
CID 127257164
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 31653712

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 39776780) is N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is CCN(Cc1ccccc1)C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is KYGDIUXRYPHMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-3-27(17-19-9-5-4-6-10-19)24(29)20-13-15-21(16-14-20)28-18(2)26-23-12-8-7-11-22(23)25(28)30/h4-16H,3,17H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 397.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 39776780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).