N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide

C20H19ClF2N4O2 — CID 25122820

IUPACN-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
SMILESCCN(CC)c1nc2cccc(Cl)c2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C20H19ClF2N4O2/c1-3-26(4-2)20-24-16-7-5-6-15(21)18(16)19(29)27(20)25-17(28)10-12-8-13(22)11-14(23)9-12/h5-9,11H,3-4,10H2,1-2H3,(H,25,28)
InChIKeyBOEWLHAONLXNBF-UHFFFAOYSA-N
MW420.85 g/mol
LogP3.49
Rot. Bonds6

About N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide

N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide (PubChem CID 25122820) has the molecular formula C20H19ClF2N4O2 and a molecular weight of 420.85 g/mol. Its IUPAC name is N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
PubChem CID25122820
Molecular FormulaC20H19ClF2N4O2
Molecular Weight420.85 g/mol
Exact Mass420.12
IUPAC NameN-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
SMILESCCN(CC)c1nc2cccc(Cl)c2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C20H19ClF2N4O2/c1-3-26(4-2)20-24-16-7-5-6-15(21)18(16)19(29)27(20)25-17(28)10-12-8-13(22)11-14(23)9-12/h5-9,11H,3-4,10H2,1-2H3,(H,25,28)
InChIKeyBOEWLHAONLXNBF-UHFFFAOYSA-N
XLogP3.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-5-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
CID 25122822
N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
CID 25122821
2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide
CID 25118551
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide
CID 25119974
N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
CID 25117842
2,4-diamino-6-[[5-chloro-3-(3-chloro-5-fluorophenyl)-4-oxoquinazolin-2-yl]-ethylamino]pyrimidine-5-carbonitrile
CID 90237148
N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 25119978
N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838611
5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one
CID 118493670
2-(1-aminoethyl)-5-chloro-3-(4-fluoro-2,6-dimethylanilino)quinazolin-4-one
CID 123299615
N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
CID 71197546

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide (CID 25122820) is N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide is CCN(CC)c1nc2cccc(Cl)c2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
The InChIKey is BOEWLHAONLXNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N4O2/c1-3-26(4-2)20-24-16-7-5-6-15(21)18(16)19(29)27(20)25-17(28)10-12-8-13(22)11-14(23)9-12/h5-9,11H,3-4,10H2,1-2H3,(H,25,28).
What are the key properties of N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide has a molecular weight of 420.85 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 25122820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).