2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid

C18H22N4O4S — CID 69306674

IUPAC2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid
SMILESCCCc1nc2c(N)nc3cc(OCCOCCNC(=O)O)ccc3c2s1
InChIInChI=1S/C18H22N4O4S/c1-2-3-14-22-15-16(27-14)12-5-4-11(10-13(12)21-17(15)19)26-9-8-25-7-6-20-18(23)24/h4-5,10,20H,2-3,6-9H2,1H3,(H2,19,21)(H,23,24)
InChIKeyFSKRHECJRXBTOL-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.04
Rot. Bonds9

About 2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid

2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid (PubChem CID 69306674) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid
PubChem CID69306674
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid
SMILESCCCc1nc2c(N)nc3cc(OCCOCCNC(=O)O)ccc3c2s1
InChIInChI=1S/C18H22N4O4S/c1-2-3-14-22-15-16(27-14)12-5-4-11(10-13(12)21-17(15)19)26-9-8-25-7-6-20-18(23)24/h4-5,10,20H,2-3,6-9H2,1H3,(H2,19,21)(H,23,24)
InChIKeyFSKRHECJRXBTOL-UHFFFAOYSA-N
XLogP3.04
TPSA119.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid?
The IUPAC name of 2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid (CID 69306674) is 2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid?
The canonical SMILES for 2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid is CCCc1nc2c(N)nc3cc(OCCOCCNC(=O)O)ccc3c2s1.
What is the InChIKey of 2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid?
The InChIKey is FSKRHECJRXBTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-2-3-14-22-15-16(27-14)12-5-4-11(10-13(12)21-17(15)19)26-9-8-25-7-6-20-18(23)24/h4-5,10,20H,2-3,6-9H2,1H3,(H2,19,21)(H,23,24).
What are the key properties of 2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid?
2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid has a molecular weight of 390.47 g/mol, XLogP of 3.04, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]ethoxy]ethylcarbamic acid is sourced from PubChem (CID 69306674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).