N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide

C20H19ClFN3O4 — CID 51046805

IUPACN-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O
InChIInChI=1S/C20H19ClFN3O4/c1-29-10-4-9-24-19(27)14-5-2-3-6-17(14)25(20(24)28)12-18(26)23-16-8-7-13(21)11-15(16)22/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,23,26)
InChIKeyOEDNGDSXPKMVQA-UHFFFAOYSA-N
MW419.84 g/mol
LogP2.63
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 51046805) has the molecular formula C20H19ClFN3O4 and a molecular weight of 419.84 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID51046805
Molecular FormulaC20H19ClFN3O4
Molecular Weight419.84 g/mol
Exact Mass419.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O
InChIInChI=1S/C20H19ClFN3O4/c1-29-10-4-9-24-19(27)14-5-2-3-6-17(14)25(20(24)28)12-18(26)23-16-8-7-13(21)11-15(16)22/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,23,26)
InChIKeyOEDNGDSXPKMVQA-UHFFFAOYSA-N
XLogP2.63
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.84
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502262
5-[1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762906
2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 6502256
N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502293
N-(4-chloro-2-fluorophenyl)-2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22430085
3-[1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]-N-(2-methoxyethyl)propanamide
CID 15988040
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448
N-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 6617080
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
4-[1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-chlorophenyl)methyl]butanamide
CID 46247660
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
4-[1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 46247817

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide (CID 51046805) is N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide is COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is OEDNGDSXPKMVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O4/c1-29-10-4-9-24-19(27)14-5-2-3-6-17(14)25(20(24)28)12-18(26)23-16-8-7-13(21)11-15(16)22/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,23,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 419.84 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 51046805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).