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

C19H14ClF2N3O3 — CID 42811200

IUPAC2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2ccc(Cl)cc21)NC1CC1
InChIInChI=1S/C19H14ClF2N3O3/c20-10-1-5-13-16(7-10)24(9-17(26)23-12-3-4-12)19(28)25(18(13)27)15-6-2-11(21)8-14(15)22/h1-2,5-8,12H,3-4,9H2,(H,23,26)
InChIKeyPPFAUULRKZKSBN-UHFFFAOYSA-N
MW405.79 g/mol
LogP2.36
Rot. Bonds4

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

2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide (PubChem CID 42811200) has the molecular formula C19H14ClF2N3O3 and a molecular weight of 405.79 g/mol. Its IUPAC name is 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide
PubChem CID42811200
Molecular FormulaC19H14ClF2N3O3
Molecular Weight405.79 g/mol
Exact Mass405.07
IUPAC Name2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2ccc(Cl)cc21)NC1CC1
InChIInChI=1S/C19H14ClF2N3O3/c20-10-1-5-13-16(7-10)24(9-17(26)23-12-3-4-12)19(28)25(18(13)27)15-6-2-11(21)8-14(15)22/h1-2,5-8,12H,3-4,9H2,(H,23,26)
InChIKeyPPFAUULRKZKSBN-UHFFFAOYSA-N
XLogP2.36
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
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-cyclopropylacetamide?
The IUPAC name of 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide (CID 42811200) is 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide is O=C(Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2ccc(Cl)cc21)NC1CC1.
What is the InChIKey of 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide?
The InChIKey is PPFAUULRKZKSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O3/c20-10-1-5-13-16(7-10)24(9-17(26)23-12-3-4-12)19(28)25(18(13)27)15-6-2-11(21)8-14(15)22/h1-2,5-8,12H,3-4,9H2,(H,23,26).
What are the key properties of 2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide?
2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide has a molecular weight of 405.79 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 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-cyclopropylacetamide is sourced from PubChem (CID 42811200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).