2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide

C20H18ClF2N3O3 — CID 42811202

IUPAC2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C20H18ClF2N3O3/c1-3-8-24(2)18(27)11-25-17-9-12(21)4-6-14(17)19(28)26(20(25)29)16-7-5-13(22)10-15(16)23/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeyYSLKZADWZQULTG-UHFFFAOYSA-N
MW421.83 g/mol
LogP2.95
Rot. Bonds5

About 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide

2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide (PubChem CID 42811202) has the molecular formula C20H18ClF2N3O3 and a molecular weight of 421.83 g/mol. Its IUPAC name is 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide
PubChem CID42811202
Molecular FormulaC20H18ClF2N3O3
Molecular Weight421.83 g/mol
Exact Mass421.10
IUPAC Name2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C20H18ClF2N3O3/c1-3-8-24(2)18(27)11-25-17-9-12(21)4-6-14(17)19(28)26(20(25)29)16-7-5-13(22)10-15(16)23/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeyYSLKZADWZQULTG-UHFFFAOYSA-N
XLogP2.95
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.83
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide (CID 42811202) is 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2ccc(Cl)cc21.
What is the InChIKey of 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide?
The InChIKey is YSLKZADWZQULTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O3/c1-3-8-24(2)18(27)11-25-17-9-12(21)4-6-14(17)19(28)26(20(25)29)16-7-5-13(22)10-15(16)23/h4-7,9-10H,3,8,11H2,1-2H3.
What are the key properties of 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide?
2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide has a molecular weight of 421.83 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 42811202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).