N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide

C17H13Cl2N3O3 — CID 4904089

IUPACN-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H13Cl2N3O3/c18-10-7-11(19)9-12(8-10)20-15(23)5-6-22-16(24)13-3-1-2-4-14(13)21-17(22)25/h1-4,7-9H,5-6H2,(H,20,23)(H,21,25)
InChIKeyGCZUJPWHWLARHI-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.03
Rot. Bonds4

About N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide

N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide (PubChem CID 4904089) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
PubChem CID4904089
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC NameN-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H13Cl2N3O3/c18-10-7-11(19)9-12(8-10)20-15(23)5-6-22-16(24)13-3-1-2-4-14(13)21-17(22)25/h1-4,7-9H,5-6H2,(H,20,23)(H,21,25)
InChIKeyGCZUJPWHWLARHI-UHFFFAOYSA-N
XLogP3.03
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4973826
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4908651
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903112
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905483
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4904247
N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905587
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51393472

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide (CID 4904089) is N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide is O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The InChIKey is GCZUJPWHWLARHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c18-10-7-11(19)9-12(8-10)20-15(23)5-6-22-16(24)13-3-1-2-4-14(13)21-17(22)25/h1-4,7-9H,5-6H2,(H,20,23)(H,21,25).
What are the key properties of N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide has a molecular weight of 378.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide is sourced from PubChem (CID 4904089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).