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

C17H14ClN3O3 — CID 4973826

IUPACN-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O3/c18-11-4-3-5-12(10-11)19-15(22)8-9-21-16(23)13-6-1-2-7-14(13)20-17(21)24/h1-7,10H,8-9H2,(H,19,22)(H,20,24)
InChIKeyUKOOJZSRVLQPED-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.37
Rot. Bonds4

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

N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide (PubChem CID 4973826) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
PubChem CID4973826
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O3/c18-11-4-3-5-12(10-11)19-15(22)8-9-21-16(23)13-6-1-2-7-14(13)20-17(21)24/h1-7,10H,8-9H2,(H,19,22)(H,20,24)
InChIKeyUKOOJZSRVLQPED-UHFFFAOYSA-N
XLogP2.37
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.37
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-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903112
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4908651
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
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
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 46693324
N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4904247
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 37359882
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide (CID 4973826) is N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide is O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The InChIKey is UKOOJZSRVLQPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-11-4-3-5-12(10-11)19-15(22)8-9-21-16(23)13-6-1-2-7-14(13)20-17(21)24/h1-7,10H,8-9H2,(H,19,22)(H,20,24).
What are the key properties of N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide has a molecular weight of 343.77 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide is sourced from PubChem (CID 4973826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).