N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide

C19H21N3O2S — CID 171446127

IUPACN-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)s1
InChIInChI=1S/C19H21N3O2S/c1-22(2)10-4-9-21-19(24)17-7-6-16(25-17)14-11-13-5-3-8-20-18(13)15(23)12-14/h3,5-8,11-12,23H,4,9-10H2,1-2H3,(H,21,24)
InChIKeyQNWHQAJUKRMJMU-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.35
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide

N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide (PubChem CID 171446127) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide
PubChem CID171446127
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)s1
InChIInChI=1S/C19H21N3O2S/c1-22(2)10-4-9-21-19(24)17-7-6-16(25-17)14-11-13-5-3-8-20-18(13)15(23)12-14/h3,5-8,11-12,23H,4,9-10H2,1-2H3,(H,21,24)
InChIKeyQNWHQAJUKRMJMU-UHFFFAOYSA-N
XLogP3.35
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446140
3-bromo-N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446114
4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 171446242
N-[3-(dimethylamino)propyl]-5-[8-[(4-methoxyphenyl)methoxy]quinolin-6-yl]thiophene-3-carboxamide
CID 171446078
N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
CID 110474763
4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide
CID 176554954
N-[3-(dimethylamino)propyl]-5-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 177365606
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119647
2-[2-(8-hydroxyquinolin-6-yl)-5-(3-phenylpropylcarbamoyl)phenoxy]acetic acid
CID 176554971
N-[3-(dimethylamino)propyl]-2-hydrazinylpyridine-3-carboxamide
CID 60920879
3-(8-hydroxyquinolin-6-yl)-4-(2-methylpropoxy)-N-(3-phenylpropyl)benzamide
CID 176554938

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide (CID 171446127) is N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide is CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)s1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide?
The InChIKey is QNWHQAJUKRMJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-22(2)10-4-9-21-19(24)17-7-6-16(25-17)14-11-13-5-3-8-20-18(13)15(23)12-14/h3,5-8,11-12,23H,4,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 171446127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).