N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide

C20H18F4N4O2 — CID 25119974

IUPACN-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide
SMILESCC(C)N(C)c1nc2cc(F)cc(F)c2c(=O)n1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H18F4N4O2/c1-10(2)27(3)20-25-16-9-12(21)8-15(24)18(16)19(30)28(20)26-17(29)7-11-4-5-13(22)14(23)6-11/h4-6,8-10H,7H2,1-3H3,(H,26,29)
InChIKeyBJBWCJHTHXVEIZ-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.11
Rot. Bonds5

About N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide

N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 25119974) has the molecular formula C20H18F4N4O2 and a molecular weight of 422.38 g/mol. Its IUPAC name is N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide
PubChem CID25119974
Molecular FormulaC20H18F4N4O2
Molecular Weight422.38 g/mol
Exact Mass422.14
IUPAC NameN-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide
SMILESCC(C)N(C)c1nc2cc(F)cc(F)c2c(=O)n1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H18F4N4O2/c1-10(2)27(3)20-25-16-9-12(21)8-15(24)18(16)19(30)28(20)26-17(29)7-11-4-5-13(22)14(23)6-11/h4-6,8-10H,7H2,1-3H3,(H,26,29)
InChIKeyBJBWCJHTHXVEIZ-UHFFFAOYSA-N
XLogP3.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide (CID 25119974) is N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide is CC(C)N(C)c1nc2cc(F)cc(F)c2c(=O)n1NC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is BJBWCJHTHXVEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O2/c1-10(2)27(3)20-25-16-9-12(21)8-15(24)18(16)19(30)28(20)26-17(29)7-11-4-5-13(22)14(23)6-11/h4-6,8-10H,7H2,1-3H3,(H,26,29).
What are the key properties of N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide?
N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 422.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 25119974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).