[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C19H14ClF2N3O5 — CID 29458541

IUPAC[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H14ClF2N3O5/c20-13-7-11(5-6-15(13)30-19(21)22)24-16(26)9-29-17(27)8-25-10-23-14-4-2-1-3-12(14)18(25)28/h1-7,10,19H,8-9H2,(H,24,26)
InChIKeyJXZCKTJDPKQTSI-UHFFFAOYSA-N
MW437.79 g/mol
LogP2.83
Rot. Bonds7

About [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 29458541) has the molecular formula C19H14ClF2N3O5 and a molecular weight of 437.79 g/mol. Its IUPAC name is [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID29458541
Molecular FormulaC19H14ClF2N3O5
Molecular Weight437.79 g/mol
Exact Mass437.06
IUPAC Name[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H14ClF2N3O5/c20-13-7-11(5-6-15(13)30-19(21)22)24-16(26)9-29-17(27)8-25-10-23-14-4-2-1-3-12(14)18(25)28/h1-7,10,19H,8-9H2,(H,24,26)
InChIKeyJXZCKTJDPKQTSI-UHFFFAOYSA-N
XLogP2.83
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate with MolForge

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995448
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792839
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 46789518
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995489
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437008
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437012
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 16535665
[2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2451728
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995599
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 18279717
[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33356940

Frequently Asked Questions

What is the IUPAC name of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 29458541) is [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is JXZCKTJDPKQTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O5/c20-13-7-11(5-6-15(13)30-19(21)22)24-16(26)9-29-17(27)8-25-10-23-14-4-2-1-3-12(14)18(25)28/h1-7,10,19H,8-9H2,(H,24,26).
What are the key properties of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 437.79 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 29458541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).