N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide

C25H23N3O2 — CID 43020410

IUPACN-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C25H23N3O2/c1-2-16-27(17-19-8-4-3-5-9-19)24(29)20-12-14-21(15-13-20)28-18-26-23-11-7-6-10-22(23)25(28)30/h3-15,18H,2,16-17H2,1H3
InChIKeyWCKUYSJOKKJPHS-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.44
Rot. Bonds6

About N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide

N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide (PubChem CID 43020410) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide
PubChem CID43020410
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C25H23N3O2/c1-2-16-27(17-19-8-4-3-5-9-19)24(29)20-12-14-21(15-13-20)28-18-26-23-11-7-6-10-22(23)25(28)30/h3-15,18H,2,16-17H2,1H3
InChIKeyWCKUYSJOKKJPHS-UHFFFAOYSA-N
XLogP4.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide
CID 24553245
N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776780
N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
3-[4-(dimethylamino)phenyl]quinazolin-4-one
CID 7719422
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide
CID 51158044
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 32987474
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24566961
N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
CID 43019404

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide?
The IUPAC name of N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide (CID 43020410) is N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide.
What is the SMILES notation for N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide?
The canonical SMILES for N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide is CCCN(Cc1ccccc1)C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide?
The InChIKey is WCKUYSJOKKJPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-16-27(17-19-8-4-3-5-9-19)24(29)20-12-14-21(15-13-20)28-18-26-23-11-7-6-10-22(23)25(28)30/h3-15,18H,2,16-17H2,1H3.
What are the key properties of N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide?
N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide has a molecular weight of 397.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide is sourced from PubChem (CID 43020410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).