N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide

C24H17BrN4O3 — CID 31158415

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C24H17BrN4O3/c25-16-7-10-19-18(13-16)24(31)29(14-26-19)12-11-22(30)27-17-8-5-15(6-9-17)23-28-20-3-1-2-4-21(20)32-23/h1-10,13-14H,11-12H2,(H,27,30)
InChIKeyLESGUTXJOIXPFV-UHFFFAOYSA-N
MW489.33 g/mol
LogP5.00
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide (PubChem CID 31158415) has the molecular formula C24H17BrN4O3 and a molecular weight of 489.33 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
PubChem CID31158415
Molecular FormulaC24H17BrN4O3
Molecular Weight489.33 g/mol
Exact Mass488.05
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C24H17BrN4O3/c25-16-7-10-19-18(13-16)24(31)29(14-26-19)12-11-22(30)27-17-8-5-15(6-9-17)23-28-20-3-1-2-4-21(20)32-23/h1-10,13-14H,11-12H2,(H,27,30)
InChIKeyLESGUTXJOIXPFV-UHFFFAOYSA-N
XLogP5.00
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 41489456
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(1-phenylethylamino)phenyl]propanamide
CID 55987816
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
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-methoxyphenyl)propanamide
CID 31301273
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 26675731
N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 30288435
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
CID 35828025
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16602721

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide (CID 31158415) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is LESGUTXJOIXPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN4O3/c25-16-7-10-19-18(13-16)24(31)29(14-26-19)12-11-22(30)27-17-8-5-15(6-9-17)23-28-20-3-1-2-4-21(20)32-23/h1-10,13-14H,11-12H2,(H,27,30).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 489.33 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 31158415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).