N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C18H23F2N3OS — CID 155725761

IUPACN-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC(F)(F)CNCCCNC(=O)c1cc2cc3c(nc2s1)CCCC3
InChIInChI=1S/C18H23F2N3OS/c1-18(19,20)11-21-7-4-8-22-16(24)15-10-13-9-12-5-2-3-6-14(12)23-17(13)25-15/h9-10,21H,2-8,11H2,1H3,(H,22,24)
InChIKeyTUFQHFZRRRGRDG-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.54
Rot. Bonds7

About N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 155725761) has the molecular formula C18H23F2N3OS and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID155725761
Molecular FormulaC18H23F2N3OS
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC NameN-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC(F)(F)CNCCCNC(=O)c1cc2cc3c(nc2s1)CCCC3
InChIInChI=1S/C18H23F2N3OS/c1-18(19,20)11-21-7-4-8-22-16(24)15-10-13-9-12-5-2-3-6-14(12)23-17(13)25-15/h9-10,21H,2-8,11H2,1H3,(H,22,24)
InChIKeyTUFQHFZRRRGRDG-UHFFFAOYSA-N
XLogP3.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

acetylene;N-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;2-methylpropane;5-methyl-2-propylhexan-1-ol
CID 155726008
N-(2-aminoethyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847752
N-(3-bromo-2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115364958
2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone
CID 143292446
6-tert-butyl-N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 58749804
6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 158244889
11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
CID 11847751
N-[3-(1-methylpyrazol-4-yl)propyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 71880223
N-(3-hydroxypropyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 43390164
benzene;methane;2-methylpropane;pentane;4-propan-2-ylcyclohexan-1-ol;1-(5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone
CID 155725705
N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene
CID 143292872
(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 69152451

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 155725761) is N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CC(F)(F)CNCCCNC(=O)c1cc2cc3c(nc2s1)CCCC3.
What is the InChIKey of N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is TUFQHFZRRRGRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3OS/c1-18(19,20)11-21-7-4-8-22-16(24)15-10-13-9-12-5-2-3-6-14(12)23-17(13)25-15/h9-10,21H,2-8,11H2,1H3,(H,22,24).
What are the key properties of N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoropropylamino)propyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 155725761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).