3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol

C25H25BrN2O2 — CID 178090766

IUPAC3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
SMILESCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)N2CCCO)cc1C
InChIInChI=1S/C25H25BrN2O2/c1-17-15-19(9-12-23(17)30-2)25-27-22-11-10-20(26)16-21(22)24(28(25)13-6-14-29)18-7-4-3-5-8-18/h3-5,7-12,15-16,24,29H,6,13-14H2,1-2H3
InChIKeyYGQKICBXTHVHMK-UHFFFAOYSA-N
MW465.39 g/mol
LogP5.63
Rot. Bonds6

About 3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol

3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol (PubChem CID 178090766) has the molecular formula C25H25BrN2O2 and a molecular weight of 465.39 g/mol. Its IUPAC name is 3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
PubChem CID178090766
Molecular FormulaC25H25BrN2O2
Molecular Weight465.39 g/mol
Exact Mass464.11
IUPAC Name3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
SMILESCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)N2CCCO)cc1C
InChIInChI=1S/C25H25BrN2O2/c1-17-15-19(9-12-23(17)30-2)25-27-22-11-10-20(26)16-21(22)24(28(25)13-6-14-29)18-7-4-3-5-8-18/h3-5,7-12,15-16,24,29H,6,13-14H2,1-2H3
InChIKeyYGQKICBXTHVHMK-UHFFFAOYSA-N
XLogP5.63
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.39
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol with MolForge

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Related Compounds

3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090768
3-[6-bromo-2-(4-ethoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090778
3-[6-bromo-2-[4-(2-methoxyethoxy)phenyl]-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090771
methyl 3-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propanoate
CID 178090791
methyl 2-[(4S)-6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
CID 2135935
ethyl 2-[(4S)-6-bromo-2-(3-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 99796160
3-[6-bromo-4-phenyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-4H-quinazolin-3-yl]propan-1-ol
CID 178090892
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide
CID 178090840
3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090896
ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 2870249
2-[(4S)-6-bromo-2-(4-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 1106483
2-[6-bromo-2-(4-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 3119177

Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
The IUPAC name of 3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol (CID 178090766) is 3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
The canonical SMILES for 3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol is COc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)N2CCCO)cc1C.
What is the InChIKey of 3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
The InChIKey is YGQKICBXTHVHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O2/c1-17-15-19(9-12-23(17)30-2)25-27-22-11-10-20(26)16-21(22)24(28(25)13-6-14-29)18-7-4-3-5-8-18/h3-5,7-12,15-16,24,29H,6,13-14H2,1-2H3.
What are the key properties of 3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol has a molecular weight of 465.39 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol is sourced from PubChem (CID 178090766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).