2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide

C18H16BrF2N3O2 — CID 176748887

IUPAC2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN1Cc2c(Br)cccc2NC1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H16BrF2N3O2/c1-10(12-6-5-11(20)7-15(12)21)22-17(25)9-24-8-13-14(19)3-2-4-16(13)23-18(24)26/h2-7,10H,8-9H2,1H3,(H,22,25)(H,23,26)/t10-/m0/s1
InChIKeyQYJHMGOYVUZRLX-JTQLQIEISA-N
MW424.25 g/mol
LogP3.95
Rot. Bonds4

About 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide

2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide (PubChem CID 176748887) has the molecular formula C18H16BrF2N3O2 and a molecular weight of 424.25 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
PubChem CID176748887
Molecular FormulaC18H16BrF2N3O2
Molecular Weight424.25 g/mol
Exact Mass423.04
IUPAC Name2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN1Cc2c(Br)cccc2NC1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H16BrF2N3O2/c1-10(12-6-5-11(20)7-15(12)21)22-17(25)9-24-8-13-14(19)3-2-4-16(13)23-18(24)26/h2-7,10H,8-9H2,1H3,(H,22,25)(H,23,26)/t10-/m0/s1
InChIKeyQYJHMGOYVUZRLX-JTQLQIEISA-N
XLogP3.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497142
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane
CID 171497640
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)acetamide
CID 171497675
2-(6-bromo-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 171496880
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(5-ethoxy-2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)acetamide
CID 171496972
N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497300
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-5-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 171496957
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 171497120
2-(7-chloro-5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]acetamide
CID 176748858
N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497028
2-(5-cyano-6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide
CID 171497525
2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide
CID 171497423

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide (CID 176748887) is 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide is C[C@H](NC(=O)CN1Cc2c(Br)cccc2NC1=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The InChIKey is QYJHMGOYVUZRLX-JTQLQIEISA-N. The full InChI is InChI=1S/C18H16BrF2N3O2/c1-10(12-6-5-11(20)7-15(12)21)22-17(25)9-24-8-13-14(19)3-2-4-16(13)23-18(24)26/h2-7,10H,8-9H2,1H3,(H,22,25)(H,23,26)/t10-/m0/s1.
What are the key properties of 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide has a molecular weight of 424.25 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 176748887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).