N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C18H18N4OS — CID 46629122

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2c3c(nc4ccccc24)CCC3)s1
InChIInChI=1S/C18H18N4OS/c1-10(2)17-21-22-18(24-17)20-16(23)15-11-6-3-4-8-13(11)19-14-9-5-7-12(14)15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,20,22,23)
InChIKeyBFFUZDZZTNMATJ-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.95
Rot. Bonds3

About N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 46629122) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID46629122
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2c3c(nc4ccccc24)CCC3)s1
InChIInChI=1S/C18H18N4OS/c1-10(2)17-21-22-18(24-17)20-16(23)15-11-6-3-4-8-13(11)19-14-9-5-7-12(14)15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,20,22,23)
InChIKeyBFFUZDZZTNMATJ-UHFFFAOYSA-N
XLogP3.95
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide with MolForge

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Related Compounds

2-benzyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 32623849
methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate
CID 18103618
N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 4042907
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3359610
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
(2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 2475453
N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 166211166
N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3411008
N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 46629122) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is CC(C)c1nnc(NC(=O)c2c3c(nc4ccccc24)CCC3)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is BFFUZDZZTNMATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-10(2)17-21-22-18(24-17)20-16(23)15-11-6-3-4-8-13(11)19-14-9-5-7-12(14)15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,20,22,23).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 46629122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).