N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C23H18BrN3O3 — CID 135893495

IUPACN-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H18BrN3O3/c24-15-5-9-17(10-6-15)30-18-11-7-16(8-12-18)25-22(28)14-13-21-26-20-4-2-1-3-19(20)23(29)27-21/h1-12H,13-14H2,(H,25,28)(H,26,27,29)
InChIKeyVERRJOGILOHYPW-UHFFFAOYSA-N
MW464.32 g/mol
LogP5.05
Rot. Bonds6

About N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135893495) has the molecular formula C23H18BrN3O3 and a molecular weight of 464.32 g/mol. Its IUPAC name is N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135893495
Molecular FormulaC23H18BrN3O3
Molecular Weight464.32 g/mol
Exact Mass463.05
IUPAC NameN-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H18BrN3O3/c24-15-5-9-17(10-6-15)30-18-11-7-16(8-12-18)25-22(28)14-13-21-26-20-4-2-1-3-19(20)23(29)27-21/h1-12H,13-14H2,(H,25,28)(H,26,27,29)
InChIKeyVERRJOGILOHYPW-UHFFFAOYSA-N
XLogP5.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.32
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767361
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767542
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137278194
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
[2-(3-bromoanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135510202
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782984
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137284840
[4-[(2-chlorobenzoyl)amino]phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 137299587

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135893495) is N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Oc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is VERRJOGILOHYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O3/c24-15-5-9-17(10-6-15)30-18-11-7-16(8-12-18)25-22(28)14-13-21-26-20-4-2-1-3-19(20)23(29)27-21/h1-12H,13-14H2,(H,25,28)(H,26,27,29).
What are the key properties of N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 464.32 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135893495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).