2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone

C27H26BrN3O3 — CID 178090894

IUPAC2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)N2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H26BrN3O3/c1-33-22-10-7-20(8-11-22)27-29-24-12-9-21(28)17-23(24)26(19-5-3-2-4-6-19)31(27)18-25(32)30-13-15-34-16-14-30/h2-12,17,26H,13-16,18H2,1H3
InChIKeyPKYSDLHFQFAPTN-UHFFFAOYSA-N
MW520.43 g/mol
LogP4.80
Rot. Bonds5

About 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone

2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone (PubChem CID 178090894) has the molecular formula C27H26BrN3O3 and a molecular weight of 520.43 g/mol. Its IUPAC name is 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone
PubChem CID178090894
Molecular FormulaC27H26BrN3O3
Molecular Weight520.43 g/mol
Exact Mass519.12
IUPAC Name2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)N2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H26BrN3O3/c1-33-22-10-7-20(8-11-22)27-29-24-12-9-21(28)17-23(24)26(19-5-3-2-4-6-19)31(27)18-25(32)30-13-15-34-16-14-30/h2-12,17,26H,13-16,18H2,1H3
InChIKeyPKYSDLHFQFAPTN-UHFFFAOYSA-N
XLogP4.80
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide
CID 178090840
methyl 3-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propanoate
CID 178090791
3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090768
methyl 2-[(4S)-6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
CID 2135935
2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 3137629
ethyl 2-[(4S)-6-bromo-2-(3-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 99796160
3-[6-bromo-2-[4-(2-methoxyethoxy)phenyl]-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090771
ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 2870249
3-[6-bromo-2-(4-ethoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090778
3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090766
6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136558173
6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde
CID 175230513

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone (CID 178090894) is 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone is COc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)N2CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is PKYSDLHFQFAPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrN3O3/c1-33-22-10-7-20(8-11-22)27-29-24-12-9-21(28)17-23(24)26(19-5-3-2-4-6-19)31(27)18-25(32)30-13-15-34-16-14-30/h2-12,17,26H,13-16,18H2,1H3.
What are the key properties of 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone?
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 520.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 178090894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).