N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide

C20H17N5OS — CID 118400881

IUPACN-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C20H17N5OS/c1-12-10-27-20(24-12)25-19(26)17-7-15(6-14-4-3-5-23-18(14)17)13(2)16-8-21-11-22-9-16/h3-11,13H,1-2H3,(H,24,25,26)
InChIKeyZWPZCBGYUSAISS-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.19
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide (PubChem CID 118400881) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide
PubChem CID118400881
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C20H17N5OS/c1-12-10-27-20(24-12)25-19(26)17-7-15(6-14-4-3-5-23-18(14)17)13(2)16-8-21-11-22-9-16/h3-11,13H,1-2H3,(H,24,25,26)
InChIKeyZWPZCBGYUSAISS-UHFFFAOYSA-N
XLogP4.19
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide (CID 118400881) is N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide is Cc1csc(NC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide?
The InChIKey is ZWPZCBGYUSAISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-12-10-27-20(24-12)25-19(26)17-7-15(6-14-4-3-5-23-18(14)17)13(2)16-8-21-11-22-9-16/h3-11,13H,1-2H3,(H,24,25,26).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide is sourced from PubChem (CID 118400881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).