1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine

C23H23N5S — CID 67309178

IUPAC1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine
SMILESCc1c(-c2cccc(-c3nccs3)n2)ccc2nccc(N3CCCC(N)C3)c12
InChIInChI=1S/C23H23N5S/c1-15-17(18-5-2-6-20(27-18)23-26-11-13-29-23)7-8-19-22(15)21(9-10-25-19)28-12-3-4-16(24)14-28/h2,5-11,13,16H,3-4,12,14,24H2,1H3
InChIKeyYKFUESVRXQAEJY-UHFFFAOYSA-N
MW401.54 g/mol
LogP4.66
Rot. Bonds3

About 1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine

1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine (PubChem CID 67309178) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is 1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine
PubChem CID67309178
Molecular FormulaC23H23N5S
Molecular Weight401.54 g/mol
Exact Mass401.17
IUPAC Name1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine
SMILESCc1c(-c2cccc(-c3nccs3)n2)ccc2nccc(N3CCCC(N)C3)c12
InChIInChI=1S/C23H23N5S/c1-15-17(18-5-2-6-20(27-18)23-26-11-13-29-23)7-8-19-22(15)21(9-10-25-19)28-12-3-4-16(24)14-28/h2,5-11,13,16H,3-4,12,14,24H2,1H3
InChIKeyYKFUESVRXQAEJY-UHFFFAOYSA-N
XLogP4.66
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine?
The IUPAC name of 1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine (CID 67309178) is 1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine is Cc1c(-c2cccc(-c3nccs3)n2)ccc2nccc(N3CCCC(N)C3)c12.
What is the InChIKey of 1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine?
The InChIKey is YKFUESVRXQAEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c1-15-17(18-5-2-6-20(27-18)23-26-11-13-29-23)7-8-19-22(15)21(9-10-25-19)28-12-3-4-16(24)14-28/h2,5-11,13,16H,3-4,12,14,24H2,1H3.
What are the key properties of 1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine?
1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine has a molecular weight of 401.54 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine is sourced from PubChem (CID 67309178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).