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

C20H19FN4S — CID 59007715

IUPAC7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(-c4ccc(F)cc4CN)ccc3c2s1
InChIInChI=1S/C20H19FN4S/c1-2-3-17-25-18-19(26-17)15-6-4-11(9-16(15)24-20(18)23)14-7-5-13(21)8-12(14)10-22/h4-9H,2-3,10,22H2,1H3,(H2,23,24)
InChIKeyMDNBECLNAWOOFX-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.64
Rot. Bonds4

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

7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 59007715) has the molecular formula C20H19FN4S and a molecular weight of 366.47 g/mol. Its IUPAC name is 7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID59007715
Molecular FormulaC20H19FN4S
Molecular Weight366.47 g/mol
Exact Mass366.13
IUPAC Name7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(-c4ccc(F)cc4CN)ccc3c2s1
InChIInChI=1S/C20H19FN4S/c1-2-3-17-25-18-19(26-17)15-6-4-11(9-16(15)24-20(18)23)14-7-5-13(21)8-12(14)10-22/h4-9H,2-3,10,22H2,1H3,(H2,23,24)
InChIKeyMDNBECLNAWOOFX-UHFFFAOYSA-N
XLogP4.64
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 59007715) is 7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is CCCc1nc2c(N)nc3cc(-c4ccc(F)cc4CN)ccc3c2s1.
What is the InChIKey of 7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is MDNBECLNAWOOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S/c1-2-3-17-25-18-19(26-17)15-6-4-11(9-16(15)24-20(18)23)14-7-5-13(21)8-12(14)10-22/h4-9H,2-3,10,22H2,1H3,(H2,23,24).
What are the key properties of 7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(aminomethyl)-4-fluorophenyl]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 59007715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).