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

C17H13BrFN3O2 — CID 34745509

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1cccc(F)c1
InChIInChI=1S/C17H13BrFN3O2/c18-11-4-5-15-14(8-11)17(24)22(10-20-15)7-6-16(23)21-13-3-1-2-12(19)9-13/h1-5,8-10H,6-7H2,(H,21,23)
InChIKeyJVGVQZUWYXQOPD-UHFFFAOYSA-N
MW390.21 g/mol
LogP3.33
Rot. Bonds4

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

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide (PubChem CID 34745509) has the molecular formula C17H13BrFN3O2 and a molecular weight of 390.21 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
PubChem CID34745509
Molecular FormulaC17H13BrFN3O2
Molecular Weight390.21 g/mol
Exact Mass389.02
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1cccc(F)c1
InChIInChI=1S/C17H13BrFN3O2/c18-11-4-5-15-14(8-11)17(24)22(10-20-15)7-6-16(23)21-13-3-1-2-12(19)9-13/h1-5,8-10H,6-7H2,(H,21,23)
InChIKeyJVGVQZUWYXQOPD-UHFFFAOYSA-N
XLogP3.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
CID 35828025
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(1-phenylethylamino)phenyl]propanamide
CID 55987816
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 24589483
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 30288435
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 31158415
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 60526152
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 30884886

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide (CID 34745509) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide is O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1cccc(F)c1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide?
The InChIKey is JVGVQZUWYXQOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O2/c18-11-4-5-15-14(8-11)17(24)22(10-20-15)7-6-16(23)21-13-3-1-2-12(19)9-13/h1-5,8-10H,6-7H2,(H,21,23).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide has a molecular weight of 390.21 g/mol, XLogP of 3.33, 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-(3-fluorophenyl)propanamide is sourced from PubChem (CID 34745509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).