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

C24H23BrN2O2 — CID 178090768

IUPAC3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
SMILESCOc1ccc(C2=Nc3ccc(Br)cc3[C@H](c3ccccc3)N2CCCO)cc1
InChIInChI=1S/C24H23BrN2O2/c1-29-20-11-8-18(9-12-20)24-26-22-13-10-19(25)16-21(22)23(27(24)14-5-15-28)17-6-3-2-4-7-17/h2-4,6-13,16,23,28H,5,14-15H2,1H3/t23-/m0/s1
InChIKeyXRAQAYVZVOFKLP-QHCPKHFHSA-N
MW451.36 g/mol
LogP5.32
Rot. Bonds6

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

3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol (PubChem CID 178090768) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
PubChem CID178090768
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
SMILESCOc1ccc(C2=Nc3ccc(Br)cc3[C@H](c3ccccc3)N2CCCO)cc1
InChIInChI=1S/C24H23BrN2O2/c1-29-20-11-8-18(9-12-20)24-26-22-13-10-19(25)16-21(22)23(27(24)14-5-15-28)17-6-3-2-4-7-17/h2-4,6-13,16,23,28H,5,14-15H2,1H3/t23-/m0/s1
InChIKeyXRAQAYVZVOFKLP-QHCPKHFHSA-N
XLogP5.32
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090766
methyl 3-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propanoate
CID 178090791
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide
CID 178090840
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone
CID 178090894
3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090896
methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 3717703
2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 3137629
methyl 2-[(4S)-6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
CID 2135935
3-[6-bromo-4-phenyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-4H-quinazolin-3-yl]propan-1-ol
CID 178090892
ethyl 2-[(4S)-6-bromo-2-(3-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 99796160

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
The IUPAC name of 3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol (CID 178090768) is 3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol is COc1ccc(C2=Nc3ccc(Br)cc3[C@H](c3ccccc3)N2CCCO)cc1.
What is the InChIKey of 3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
The InChIKey is XRAQAYVZVOFKLP-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-29-20-11-8-18(9-12-20)24-26-22-13-10-19(25)16-21(22)23(27(24)14-5-15-28)17-6-3-2-4-7-17/h2-4,6-13,16,23,28H,5,14-15H2,1H3/t23-/m0/s1.
What are the key properties of 3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol?
3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol has a molecular weight of 451.36 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol is sourced from PubChem (CID 178090768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).