7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine

C20H18FN3OS — CID 58965025

IUPAC7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCc4ccc(F)cc4)ccc3c2s1
InChIInChI=1S/C20H18FN3OS/c1-2-3-17-24-18-19(26-17)15-9-8-14(10-16(15)23-20(18)22)25-11-12-4-6-13(21)7-5-12/h4-10H,2-3,11H2,1H3,(H2,22,23)
InChIKeyDETIARXAJNSPMQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.10
Rot. Bonds5

About 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine

7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 58965025) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID58965025
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCc4ccc(F)cc4)ccc3c2s1
InChIInChI=1S/C20H18FN3OS/c1-2-3-17-24-18-19(26-17)15-9-8-14(10-16(15)23-20(18)22)25-11-12-4-6-13(21)7-5-12/h4-10H,2-3,11H2,1H3,(H2,22,23)
InChIKeyDETIARXAJNSPMQ-UHFFFAOYSA-N
XLogP5.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 58965025) is 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is CCCc1nc2c(N)nc3cc(OCc4ccc(F)cc4)ccc3c2s1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is DETIARXAJNSPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-2-3-17-24-18-19(26-17)15-9-8-14(10-16(15)23-20(18)22)25-11-12-4-6-13(21)7-5-12/h4-10H,2-3,11H2,1H3,(H2,22,23).
What are the key properties of 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 367.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 58965025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).