7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline

C15H13ClN4O — CID 81230886

IUPAC7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline
SMILESCCCOc1nc(Cl)nc(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C15H13ClN4O/c1-2-8-21-15-19-13(18-14(16)20-15)11-6-5-10-4-3-7-17-12(10)9-11/h3-7,9H,2,8H2,1H3
InChIKeyWLEFLQCAINPABX-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.53
Rot. Bonds4

About 7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline

7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline (PubChem CID 81230886) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline.

Molecular Properties

Compound Name7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline
PubChem CID81230886
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline
SMILESCCCOc1nc(Cl)nc(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C15H13ClN4O/c1-2-8-21-15-19-13(18-14(16)20-15)11-6-5-10-4-3-7-17-12(10)9-11/h3-7,9H,2,8H2,1H3
InChIKeyWLEFLQCAINPABX-UHFFFAOYSA-N
XLogP3.53
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline?
The IUPAC name of 7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline (CID 81230886) is 7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline.
What is the SMILES notation for 7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline?
The canonical SMILES for 7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline is CCCOc1nc(Cl)nc(-c2ccc3cccnc3c2)n1.
What is the InChIKey of 7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline?
The InChIKey is WLEFLQCAINPABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-2-8-21-15-19-13(18-14(16)20-15)11-6-5-10-4-3-7-17-12(10)9-11/h3-7,9H,2,8H2,1H3.
What are the key properties of 7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline?
7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline has a molecular weight of 300.75 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline is sourced from PubChem (CID 81230886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).