2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine

C17H11ClFN5 — CID 178120625

IUPAC2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine
SMILESCc1nc2nc(Cl)nc(-c3ccc4cccnc4c3F)c2nc1C
InChIInChI=1S/C17H11ClFN5/c1-8-9(2)22-16-15(21-8)14(23-17(18)24-16)11-6-5-10-4-3-7-20-13(10)12(11)19/h3-7H,1-2H3
InChIKeyBPBUFAVPALJOBP-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.04
Rot. Bonds1

About 2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine

2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine (PubChem CID 178120625) has the molecular formula C17H11ClFN5 and a molecular weight of 339.76 g/mol. Its IUPAC name is 2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine.

Molecular Properties

Compound Name2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine
PubChem CID178120625
Molecular FormulaC17H11ClFN5
Molecular Weight339.76 g/mol
Exact Mass339.07
IUPAC Name2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine
SMILESCc1nc2nc(Cl)nc(-c3ccc4cccnc4c3F)c2nc1C
InChIInChI=1S/C17H11ClFN5/c1-8-9(2)22-16-15(21-8)14(23-17(18)24-16)11-6-5-10-4-3-7-20-13(10)12(11)19/h3-7H,1-2H3
InChIKeyBPBUFAVPALJOBP-UHFFFAOYSA-N
XLogP4.04
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine?
The IUPAC name of 2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine (CID 178120625) is 2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine.
What is the SMILES notation for 2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine?
The canonical SMILES for 2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine is Cc1nc2nc(Cl)nc(-c3ccc4cccnc4c3F)c2nc1C.
What is the InChIKey of 2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine?
The InChIKey is BPBUFAVPALJOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5/c1-8-9(2)22-16-15(21-8)14(23-17(18)24-16)11-6-5-10-4-3-7-20-13(10)12(11)19/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine?
2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine has a molecular weight of 339.76 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(8-fluoroquinolin-7-yl)-6,7-dimethylpteridine is sourced from PubChem (CID 178120625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).