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

C25H25N3O2S — CID 118467782

IUPAC9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine
SMILESCOc1ccc(CNc2nc3nc4c(c(-c5ccc(OC)cc5)c3s2)CCCC4)cc1
InChIInChI=1S/C25H25N3O2S/c1-29-18-11-7-16(8-12-18)15-26-25-28-24-23(31-25)22(17-9-13-19(30-2)14-10-17)20-5-3-4-6-21(20)27-24/h7-14H,3-6,15H2,1-2H3,(H,26,27,28)
InChIKeyZVVYFARUEQEFQP-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.87
Rot. Bonds6

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

9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine (PubChem CID 118467782) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine
PubChem CID118467782
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine
SMILESCOc1ccc(CNc2nc3nc4c(c(-c5ccc(OC)cc5)c3s2)CCCC4)cc1
InChIInChI=1S/C25H25N3O2S/c1-29-18-11-7-16(8-12-18)15-26-25-28-24-23(31-25)22(17-9-13-19(30-2)14-10-17)20-5-3-4-6-21(20)27-24/h7-14H,3-6,15H2,1-2H3,(H,26,27,28)
InChIKeyZVVYFARUEQEFQP-UHFFFAOYSA-N
XLogP5.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine?
The IUPAC name of 9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine (CID 118467782) is 9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine.
What is the SMILES notation for 9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine?
The canonical SMILES for 9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine is COc1ccc(CNc2nc3nc4c(c(-c5ccc(OC)cc5)c3s2)CCCC4)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine?
The InChIKey is ZVVYFARUEQEFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-29-18-11-7-16(8-12-18)15-26-25-28-24-23(31-25)22(17-9-13-19(30-2)14-10-17)20-5-3-4-6-21(20)27-24/h7-14H,3-6,15H2,1-2H3,(H,26,27,28).
What are the key properties of 9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine?
9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine has a molecular weight of 431.56 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-amine is sourced from PubChem (CID 118467782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).