N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide

C19H18N2OS — CID 160735019

IUPACN-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc2c(S)cccc2c1
InChIInChI=1S/C19H18N2OS/c22-19(20-11-5-8-14-6-2-1-3-7-14)16-12-15-9-4-10-17(23)18(15)21-13-16/h1-4,6-7,9-10,12-13,23H,5,8,11H2,(H,20,22)
InChIKeyRUVJAXLJOILHFM-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.89
Rot. Bonds5

About N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide

N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide (PubChem CID 160735019) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide
PubChem CID160735019
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc2c(S)cccc2c1
InChIInChI=1S/C19H18N2OS/c22-19(20-11-5-8-14-6-2-1-3-7-14)16-12-15-9-4-10-17(23)18(15)21-13-16/h1-4,6-7,9-10,12-13,23H,5,8,11H2,(H,20,22)
InChIKeyRUVJAXLJOILHFM-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-8-sulfanylquinoline-3-carboxamide
CID 71042979
N-[(8-sulfanylquinolin-3-yl)methyl]benzamide
CID 159965850
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262614
N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 58769005
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
tert-butyl N-[3-[(8-tert-butylsulfanylquinoline-3-carbonyl)amino]propyl]carbamate
CID 145262810
2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109258095
methyl 4-[[5-(3-phenylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109262651
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide (CID 160735019) is N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide is O=C(NCCCc1ccccc1)c1cnc2c(S)cccc2c1.
What is the InChIKey of N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide?
The InChIKey is RUVJAXLJOILHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c22-19(20-11-5-8-14-6-2-1-3-7-14)16-12-15-9-4-10-17(23)18(15)21-13-16/h1-4,6-7,9-10,12-13,23H,5,8,11H2,(H,20,22).
What are the key properties of N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide?
N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide is sourced from PubChem (CID 160735019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).