3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol

C22H19BrN4O — CID 75452705

IUPAC3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol
SMILESOCCC(Nc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1Br
InChIInChI=1S/C22H19BrN4O/c23-18-9-3-1-7-16(18)20(11-13-28)26-22-17-8-2-4-10-19(17)25-21(27-22)15-6-5-12-24-14-15/h1-10,12,14,20,28H,11,13H2,(H,25,26,27)
InChIKeyOEVDHAHYHXXSGZ-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.99
Rot. Bonds6

About 3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol

3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol (PubChem CID 75452705) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is 3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol
PubChem CID75452705
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC Name3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol
SMILESOCCC(Nc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1Br
InChIInChI=1S/C22H19BrN4O/c23-18-9-3-1-7-16(18)20(11-13-28)26-22-17-8-2-4-10-19(17)25-21(27-22)15-6-5-12-24-14-15/h1-10,12,14,20,28H,11,13H2,(H,25,26,27)
InChIKeyOEVDHAHYHXXSGZ-UHFFFAOYSA-N
XLogP4.99
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 133293050
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 8567794
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-(5-bromo-2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride
CID 90353056
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol (CID 75452705) is 3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol is OCCC(Nc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol?
The InChIKey is OEVDHAHYHXXSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c23-18-9-3-1-7-16(18)20(11-13-28)26-22-17-8-2-4-10-19(17)25-21(27-22)15-6-5-12-24-14-15/h1-10,12,14,20,28H,11,13H2,(H,25,26,27).
What are the key properties of 3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol?
3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol has a molecular weight of 435.33 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 75452705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).