N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

C18H16ClN3O3 — CID 4302111

IUPACN-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESO=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3/c19-12-7-9-13(10-8-12)20-16(23)6-3-11-22-17(24)14-4-1-2-5-15(14)21-18(22)25/h1-2,4-5,7-10H,3,6,11H2,(H,20,23)(H,21,25)
InChIKeyVKTVCUUTFHJSDD-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.76
Rot. Bonds5

About N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (PubChem CID 4302111) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
PubChem CID4302111
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESO=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3/c19-12-7-9-13(10-8-12)20-16(23)6-3-11-22-17(24)14-4-1-2-5-15(14)21-18(22)25/h1-2,4-5,7-10H,3,6,11H2,(H,20,23)(H,21,25)
InChIKeyVKTVCUUTFHJSDD-UHFFFAOYSA-N
XLogP2.76
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4904089
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4973826
N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905483
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide
CID 125432106
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632
N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4904247
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4908651
N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905587
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 56528156

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (CID 4302111) is N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The InChIKey is VKTVCUUTFHJSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-12-7-9-13(10-8-12)20-16(23)6-3-11-22-17(24)14-4-1-2-5-15(14)21-18(22)25/h1-2,4-5,7-10H,3,6,11H2,(H,20,23)(H,21,25).
What are the key properties of N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide has a molecular weight of 357.80 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is sourced from PubChem (CID 4302111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).