7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide

C19H20N4O2S — CID 155522629

IUPAC7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(c4nccs4)CC3)cnc2c1
InChIInChI=1S/C19H20N4O2S/c1-25-16-3-2-13-10-14(12-21-17(13)11-16)18(24)22-15-4-7-23(8-5-15)19-20-6-9-26-19/h2-3,6,9-12,15H,4-5,7-8H2,1H3,(H,22,24)
InChIKeyYWXDWYPKMQNOPP-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.10
Rot. Bonds4

About 7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide

7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide (PubChem CID 155522629) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide
PubChem CID155522629
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(c4nccs4)CC3)cnc2c1
InChIInChI=1S/C19H20N4O2S/c1-25-16-3-2-13-10-14(12-21-17(13)11-16)18(24)22-15-4-7-23(8-5-15)19-20-6-9-26-19/h2-3,6,9-12,15H,4-5,7-8H2,1H3,(H,22,24)
InChIKeyYWXDWYPKMQNOPP-UHFFFAOYSA-N
XLogP3.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide (CID 155522629) is 7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide is COc1ccc2cc(C(=O)NC3CCN(c4nccs4)CC3)cnc2c1.
What is the InChIKey of 7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide?
The InChIKey is YWXDWYPKMQNOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-25-16-3-2-13-10-14(12-21-17(13)11-16)18(24)22-15-4-7-23(8-5-15)19-20-6-9-26-19/h2-3,6,9-12,15H,4-5,7-8H2,1H3,(H,22,24).
What are the key properties of 7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide?
7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide is sourced from PubChem (CID 155522629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).