[1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol

C21H23BrN4O — CID 46215470

IUPAC[1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(NCCc2ccc(Br)cc2)c2ccccc2n1
InChIInChI=1S/C21H23BrN4O/c22-16-9-7-15(8-10-16)11-12-23-20-18-5-1-2-6-19(18)24-21(25-20)26-13-3-4-17(26)14-27/h1-2,5-10,17,27H,3-4,11-14H2,(H,23,24,25)
InChIKeyQMNVBGIYXVBPAO-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.01
Rot. Bonds6

About [1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol

[1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 46215470) has the molecular formula C21H23BrN4O and a molecular weight of 427.35 g/mol. Its IUPAC name is [1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID46215470
Molecular FormulaC21H23BrN4O
Molecular Weight427.35 g/mol
Exact Mass426.11
IUPAC Name[1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(NCCc2ccc(Br)cc2)c2ccccc2n1
InChIInChI=1S/C21H23BrN4O/c22-16-9-7-15(8-10-16)11-12-23-20-18-5-1-2-6-19(18)24-21(25-20)26-13-3-4-17(26)14-27/h1-2,5-10,17,27H,3-4,11-14H2,(H,23,24,25)
InChIKeyQMNVBGIYXVBPAO-UHFFFAOYSA-N
XLogP4.01
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethyl]phenol
CID 117080479
N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine
CID 69222573
1-[4-(benzylamino)quinazolin-2-yl]pyrrolidine-2-carboxylic acid
CID 68723847
[1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
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4-[2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]ethyl]phenol
CID 117079048
methyl (2S)-1-[4-(benzylamino)quinazolin-2-yl]pyrrolidine-2-carboxylate
CID 140558382
[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 137363110
[(2R)-1-[3-(cyclopropylamino)quinoxalin-2-yl]pyrrolidin-2-yl]methanol
CID 97169661
[1-[4-(1H-benzimidazol-2-ylmethylamino)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
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[1-[6-(benzylamino)-9-methylpurin-2-yl]pyrrolidin-2-yl]methanol
CID 10806944
[1-[6-(2-phenoxyethylamino)-9-phenylpurin-2-yl]pyrrolidin-2-yl]methanol
CID 117085845
2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
CID 91963859

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol (CID 46215470) is [1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1nc(NCCc2ccc(Br)cc2)c2ccccc2n1.
What is the InChIKey of [1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is QMNVBGIYXVBPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O/c22-16-9-7-15(8-10-16)11-12-23-20-18-5-1-2-6-19(18)24-21(25-20)26-13-3-4-17(26)14-27/h1-2,5-10,17,27H,3-4,11-14H2,(H,23,24,25).
What are the key properties of [1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol?
[1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 427.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 46215470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).