N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide

C17H17N3O2S — CID 166420952

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESC=CC(=O)N1CCCc2c(C(=O)/N=c3\sccn3C)cccc21
InChIInChI=1S/C17H17N3O2S/c1-3-15(21)20-9-5-7-12-13(6-4-8-14(12)20)16(22)18-17-19(2)10-11-23-17/h3-4,6,8,10-11H,1,5,7,9H2,2H3/b18-17-
InChIKeyGYIGPKWCDUXQAA-ZCXUNETKSA-N
MW327.41 g/mol
LogP2.29
Rot. Bonds2

About N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide

N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 166420952) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID166420952
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESC=CC(=O)N1CCCc2c(C(=O)/N=c3\sccn3C)cccc21
InChIInChI=1S/C17H17N3O2S/c1-3-15(21)20-9-5-7-12-13(6-4-8-14(12)20)16(22)18-17-19(2)10-11-23-17/h3-4,6,8,10-11H,1,5,7,9H2,2H3/b18-17-
InChIKeyGYIGPKWCDUXQAA-ZCXUNETKSA-N
XLogP2.29
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 166420952) is N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide is C=CC(=O)N1CCCc2c(C(=O)/N=c3\sccn3C)cccc21.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is GYIGPKWCDUXQAA-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-15(21)20-9-5-7-12-13(6-4-8-14(12)20)16(22)18-17-19(2)10-11-23-17/h3-4,6,8,10-11H,1,5,7,9H2,2H3/b18-17-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 166420952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).