methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate

C18H15N3O3S — CID 18103618

IUPACmethyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2c3c(nc4ccccc24)CCC3)s1
InChIInChI=1S/C18H15N3O3S/c1-24-17(23)14-9-19-18(25-14)21-16(22)15-10-5-2-3-7-12(10)20-13-8-4-6-11(13)15/h2-3,5,7,9H,4,6,8H2,1H3,(H,19,21,22)
InChIKeyVEYKFADCYLFIJL-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.22
Rot. Bonds3

About methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate

methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 18103618) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID18103618
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Namemethyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2c3c(nc4ccccc24)CCC3)s1
InChIInChI=1S/C18H15N3O3S/c1-24-17(23)14-9-19-18(25-14)21-16(22)15-10-5-2-3-7-12(10)20-13-8-4-6-11(13)15/h2-3,5,7,9H,4,6,8H2,1H3,(H,19,21,22)
InChIKeyVEYKFADCYLFIJL-UHFFFAOYSA-N
XLogP3.22
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46629122
N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3359610
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815
methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate
CID 55338596
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799640
7-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 26197572
N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180
N-(4-ethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2314335
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N-imidazo[1,2-a]pyrimidin-6-yl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 167969636
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862181

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate (CID 18103618) is methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2c3c(nc4ccccc24)CCC3)s1.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is VEYKFADCYLFIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-24-17(23)14-9-19-18(25-14)21-16(22)15-10-5-2-3-7-12(10)20-13-8-4-6-11(13)15/h2-3,5,7,9H,4,6,8H2,1H3,(H,19,21,22).
What are the key properties of methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).