7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline

C15H13BrClN5 — CID 170370283

IUPAC7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline
SMILESClc1cc2c(-n3cncn3)cc(N3CCCC3)nc2cc1Br
InChIInChI=1S/C15H13BrClN5/c16-11-6-13-10(5-12(11)17)14(22-9-18-8-19-22)7-15(20-13)21-3-1-2-4-21/h5-9H,1-4H2
InChIKeyHEUGERMRJCJUNP-UHFFFAOYSA-N
MW378.66 g/mol
LogP3.83
Rot. Bonds2

About 7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline

7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline (PubChem CID 170370283) has the molecular formula C15H13BrClN5 and a molecular weight of 378.66 g/mol. Its IUPAC name is 7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline.

Molecular Properties

Compound Name7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline
PubChem CID170370283
Molecular FormulaC15H13BrClN5
Molecular Weight378.66 g/mol
Exact Mass377.00
IUPAC Name7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline
SMILESClc1cc2c(-n3cncn3)cc(N3CCCC3)nc2cc1Br
InChIInChI=1S/C15H13BrClN5/c16-11-6-13-10(5-12(11)17)14(22-9-18-8-19-22)7-15(20-13)21-3-1-2-4-21/h5-9H,1-4H2
InChIKeyHEUGERMRJCJUNP-UHFFFAOYSA-N
XLogP3.83
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline?
The IUPAC name of 7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline (CID 170370283) is 7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline.
What is the SMILES notation for 7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline?
The canonical SMILES for 7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline is Clc1cc2c(-n3cncn3)cc(N3CCCC3)nc2cc1Br.
What is the InChIKey of 7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline?
The InChIKey is HEUGERMRJCJUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN5/c16-11-6-13-10(5-12(11)17)14(22-9-18-8-19-22)7-15(20-13)21-3-1-2-4-21/h5-9H,1-4H2.
What are the key properties of 7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline?
7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline has a molecular weight of 378.66 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-2-pyrrolidin-1-yl-4-(1,2,4-triazol-1-yl)quinoline is sourced from PubChem (CID 170370283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).