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9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine

C20H23N3OS — CID 101494796

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine
SMILESCCCNc1nc2nc3c(c(-c4ccc(OC)cc4)c2s1)CCCC3
InChIInChI=1S/C20H23N3OS/c1-3-12-21-20-23-19-18(25-20)17(13-8-10-14(24-2)11-9-13)15-6-4-5-7-16(15)22-19/h8-11H,3-7,12H2,1-2H3,(H,21,22,23)
InChIKeyLXURLNAMFRYPCN-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.07
Rot. Bonds5

About 9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine

9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine (PubChem CID 101494796) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine
PubChem CID101494796
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine
SMILESCCCNc1nc2nc3c(c(-c4ccc(OC)cc4)c2s1)CCCC3
InChIInChI=1S/C20H23N3OS/c1-3-12-21-20-23-19-18(25-20)17(13-8-10-14(24-2)11-9-13)15-6-4-5-7-16(15)22-19/h8-11H,3-7,12H2,1-2H3,(H,21,22,23)
InChIKeyLXURLNAMFRYPCN-UHFFFAOYSA-N
XLogP5.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine?
The IUPAC name of 9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine (CID 101494796) is 9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine.
What is the SMILES notation for 9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine?
The canonical SMILES for 9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine is CCCNc1nc2nc3c(c(-c4ccc(OC)cc4)c2s1)CCCC3.
What is the InChIKey of 9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine?
The InChIKey is LXURLNAMFRYPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-3-12-21-20-23-19-18(25-20)17(13-8-10-14(24-2)11-9-13)15-6-4-5-7-16(15)22-19/h8-11H,3-7,12H2,1-2H3,(H,21,22,23).
What are the key properties of 9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine?
9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine has a molecular weight of 353.49 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-N-propyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine is sourced from PubChem (CID 101494796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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