N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide

C19H20N2O2S — CID 50983418

IUPACN-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide
SMILESCCC(CO)N(Cc1ccsc1)C(=O)c1cccc2cccnc12
InChIInChI=1S/C19H20N2O2S/c1-2-16(12-22)21(11-14-8-10-24-13-14)19(23)17-7-3-5-15-6-4-9-20-18(15)17/h3-10,13,16,22H,2,11-12H2,1H3
InChIKeyDFQBEBUVYUGFBT-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.71
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide

N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide (PubChem CID 50983418) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide
PubChem CID50983418
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide
SMILESCCC(CO)N(Cc1ccsc1)C(=O)c1cccc2cccnc12
InChIInChI=1S/C19H20N2O2S/c1-2-16(12-22)21(11-14-8-10-24-13-14)19(23)17-7-3-5-15-6-4-9-20-18(15)17/h3-10,13,16,22H,2,11-12H2,1H3
InChIKeyDFQBEBUVYUGFBT-UHFFFAOYSA-N
XLogP3.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide
CID 46993383
N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide
CID 50973233
N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62169198
N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
CID 80662580
2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615237
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
N-(1-hydroxybutan-2-yl)-1-methyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 77094216
N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide
CID 91942826
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
3-(quinoline-8-carbonyl)pentanenitrile
CID 63970339

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide (CID 50983418) is N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide is CCC(CO)N(Cc1ccsc1)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide?
The InChIKey is DFQBEBUVYUGFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-16(12-22)21(11-14-8-10-24-13-14)19(23)17-7-3-5-15-6-4-9-20-18(15)17/h3-10,13,16,22H,2,11-12H2,1H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide?
N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide is sourced from PubChem (CID 50983418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).