6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline

C18H18BrN5 — CID 170641386

IUPAC6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline
SMILESC[C@H]1CN(c2ccccn2)CCN1c1ncnc2ccc(Br)cc12
InChIInChI=1S/C18H18BrN5/c1-13-11-23(17-4-2-3-7-20-17)8-9-24(13)18-15-10-14(19)5-6-16(15)21-12-22-18/h2-7,10,12-13H,8-9,11H2,1H3/t13-/m0/s1
InChIKeyMDXTVSYKFUHZKG-ZDUSSCGKSA-N
MW384.28 g/mol
LogP3.50
Rot. Bonds2

About 6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline

6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline (PubChem CID 170641386) has the molecular formula C18H18BrN5 and a molecular weight of 384.28 g/mol. Its IUPAC name is 6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline
PubChem CID170641386
Molecular FormulaC18H18BrN5
Molecular Weight384.28 g/mol
Exact Mass383.07
IUPAC Name6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline
SMILESC[C@H]1CN(c2ccccn2)CCN1c1ncnc2ccc(Br)cc12
InChIInChI=1S/C18H18BrN5/c1-13-11-23(17-4-2-3-7-20-17)8-9-24(13)18-15-10-14(19)5-6-16(15)21-12-22-18/h2-7,10,12-13H,8-9,11H2,1H3/t13-/m0/s1
InChIKeyMDXTVSYKFUHZKG-ZDUSSCGKSA-N
XLogP3.50
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline?
The IUPAC name of 6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline (CID 170641386) is 6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline.
What is the SMILES notation for 6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline?
The canonical SMILES for 6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline is C[C@H]1CN(c2ccccn2)CCN1c1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline?
The InChIKey is MDXTVSYKFUHZKG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18BrN5/c1-13-11-23(17-4-2-3-7-20-17)8-9-24(13)18-15-10-14(19)5-6-16(15)21-12-22-18/h2-7,10,12-13H,8-9,11H2,1H3/t13-/m0/s1.
What are the key properties of 6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline?
6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline has a molecular weight of 384.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline is sourced from PubChem (CID 170641386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).