1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide

C19H21N3O2S — CID 166420964

IUPAC1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESC=CC(=O)N1CCCc2c(C(=O)NCCCc3nccs3)cccc21
InChIInChI=1S/C19H21N3O2S/c1-2-18(23)22-12-5-7-14-15(6-3-8-16(14)22)19(24)21-10-4-9-17-20-11-13-25-17/h2-3,6,8,11,13H,1,4-5,7,9-10,12H2,(H,21,24)
InChIKeyOILOTKUBSKKQSB-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.97
Rot. Bonds6

About 1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide

1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 166420964) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID166420964
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESC=CC(=O)N1CCCc2c(C(=O)NCCCc3nccs3)cccc21
InChIInChI=1S/C19H21N3O2S/c1-2-18(23)22-12-5-7-14-15(6-3-8-16(14)22)19(24)21-10-4-9-17-20-11-13-25-17/h2-3,6,8,11,13H,1,4-5,7,9-10,12H2,(H,21,24)
InChIKeyOILOTKUBSKKQSB-UHFFFAOYSA-N
XLogP2.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 119060939
N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420180
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420981
1-prop-2-enoyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420947
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 167941126
N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420952
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 165439542
2-benzoyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49411610
methyl 1-prop-2-enoyl-2,3-dihydroindole-4-carboxylate
CID 89003521
1-[5-[2-[(2,3-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166421016
3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 112575884
1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160126

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide (CID 166420964) is 1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide is C=CC(=O)N1CCCc2c(C(=O)NCCCc3nccs3)cccc21.
What is the InChIKey of 1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is OILOTKUBSKKQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-18(23)22-12-5-7-14-15(6-3-8-16(14)22)19(24)21-10-4-9-17-20-11-13-25-17/h2-3,6,8,11,13H,1,4-5,7,9-10,12H2,(H,21,24).
What are the key properties of 1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 166420964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).