N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide

C19H14N4OS — CID 2366877

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1
InChIInChI=1S/C19H14N4OS/c1-12-11-25-19(21-12)23-18(24)15-10-17(13-6-8-20-9-7-13)22-16-5-3-2-4-14(15)16/h2-11H,1H3,(H,21,23,24)
InChIKeyIOEVCSMKLPIYDB-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.31
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2366877) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2366877
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1
InChIInChI=1S/C19H14N4OS/c1-12-11-25-19(21-12)23-18(24)15-10-17(13-6-8-20-9-7-13)22-16-5-3-2-4-14(15)16/h2-11H,1H3,(H,21,23,24)
InChIKeyIOEVCSMKLPIYDB-UHFFFAOYSA-N
XLogP4.31
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 2366877) is N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide is Cc1csc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is IOEVCSMKLPIYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c1-12-11-25-19(21-12)23-18(24)15-10-17(13-6-8-20-9-7-13)22-16-5-3-2-4-14(15)16/h2-11H,1H3,(H,21,23,24).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2366877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).