3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide

C17H12BrClFN3O2 — CID 30287071

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H12BrClFN3O2/c18-10-1-3-14-12(7-10)17(25)23(9-21-14)6-5-16(24)22-15-4-2-11(20)8-13(15)19/h1-4,7-9H,5-6H2,(H,22,24)
InChIKeyNEKGABKZBINDGL-UHFFFAOYSA-N
MW424.66 g/mol
LogP3.98
Rot. Bonds4

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 30287071) has the molecular formula C17H12BrClFN3O2 and a molecular weight of 424.66 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide
PubChem CID30287071
Molecular FormulaC17H12BrClFN3O2
Molecular Weight424.66 g/mol
Exact Mass422.98
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H12BrClFN3O2/c18-10-1-3-14-12(7-10)17(25)23(9-21-14)6-5-16(24)22-15-4-2-11(20)8-13(15)19/h1-4,7-9H,5-6H2,(H,22,24)
InChIKeyNEKGABKZBINDGL-UHFFFAOYSA-N
XLogP3.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.66
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide (CID 30287071) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide is O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is NEKGABKZBINDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClFN3O2/c18-10-1-3-14-12(7-10)17(25)23(9-21-14)6-5-16(24)22-15-4-2-11(20)8-13(15)19/h1-4,7-9H,5-6H2,(H,22,24).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide has a molecular weight of 424.66 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 30287071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).