(2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide

C17H20N4O3S — CID 10247960

IUPAC(2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide
SMILESC=CCNC(=O)[C@H]1CNCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H20N4O3S/c1-2-8-20-17(22)14-12-18-10-11-21(14)25(23,24)15-7-3-5-13-6-4-9-19-16(13)15/h2-7,9,14,18H,1,8,10-12H2,(H,20,22)/t14-/m1/s1
InChIKeyLBAYQNFLLCPRPJ-CQSZACIVSA-N
MW360.44 g/mol
LogP0.50
Rot. Bonds5

About (2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide

(2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide (PubChem CID 10247960) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is (2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide
PubChem CID10247960
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name(2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide
SMILESC=CCNC(=O)[C@H]1CNCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H20N4O3S/c1-2-8-20-17(22)14-12-18-10-11-21(14)25(23,24)15-7-3-5-13-6-4-9-19-16(13)15/h2-7,9,14,18H,1,8,10-12H2,(H,20,22)/t14-/m1/s1
InChIKeyLBAYQNFLLCPRPJ-CQSZACIVSA-N
XLogP0.50
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-(prop-2-enylcarbamoyl)-4-quinolin-8-ylsulfonylpiperazine-1-carboxylate
CID 10411933
N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 123756072
(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 51035281
3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide
CID 10347402
1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 5309619
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline
CID 62673138
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 42758180
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 46119625
(2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 50897765
4-(2,2-diphenylacetyl)-1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
CID 58899676
5-[(2S)-1-quinolin-8-ylsulfonylpyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201482

Frequently Asked Questions

What is the IUPAC name of (2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide?
The IUPAC name of (2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide (CID 10247960) is (2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide is C=CCNC(=O)[C@H]1CNCCN1S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of (2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide?
The InChIKey is LBAYQNFLLCPRPJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-2-8-20-17(22)14-12-18-10-11-21(14)25(23,24)15-7-3-5-13-6-4-9-19-16(13)15/h2-7,9,14,18H,1,8,10-12H2,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide?
(2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-prop-2-enyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 10247960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).