N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide

C21H18N4OS — CID 68580514

IUPACN-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide
SMILESN#Cc1ccc2c(c1)CC(NC(=O)c1ccccc1)CN2Cc1cncs1
InChIInChI=1S/C21H18N4OS/c22-10-15-6-7-20-17(8-15)9-18(12-25(20)13-19-11-23-14-27-19)24-21(26)16-4-2-1-3-5-16/h1-8,11,14,18H,9,12-13H2,(H,24,26)
InChIKeyROMJSIDUDKNYMP-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.38
Rot. Bonds4

About N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide

N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide (PubChem CID 68580514) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide
PubChem CID68580514
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide
SMILESN#Cc1ccc2c(c1)CC(NC(=O)c1ccccc1)CN2Cc1cncs1
InChIInChI=1S/C21H18N4OS/c22-10-15-6-7-20-17(8-15)9-18(12-25(20)13-19-11-23-14-27-19)24-21(26)16-4-2-1-3-5-16/h1-8,11,14,18H,9,12-13H2,(H,24,26)
InChIKeyROMJSIDUDKNYMP-UHFFFAOYSA-N
XLogP3.38
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide?
The IUPAC name of N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide (CID 68580514) is N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide.
What is the SMILES notation for N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide?
The canonical SMILES for N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide is N#Cc1ccc2c(c1)CC(NC(=O)c1ccccc1)CN2Cc1cncs1.
What is the InChIKey of N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide?
The InChIKey is ROMJSIDUDKNYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c22-10-15-6-7-20-17(8-15)9-18(12-25(20)13-19-11-23-14-27-19)24-21(26)16-4-2-1-3-5-16/h1-8,11,14,18H,9,12-13H2,(H,24,26).
What are the key properties of N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide?
N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide has a molecular weight of 374.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzamide is sourced from PubChem (CID 68580514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).