N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide

C19H21N3O2S — CID 56723483

IUPACN-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCc1ccsc1C(CNC(=O)c1cc(=O)c2ccccc2[nH]1)N(C)C
InChIInChI=1S/C19H21N3O2S/c1-12-8-9-25-18(12)16(22(2)3)11-20-19(24)15-10-17(23)13-6-4-5-7-14(13)21-15/h4-10,16H,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyMDQMNDKYDKGVFJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.93
Rot. Bonds5

About N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide

N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 56723483) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide
PubChem CID56723483
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCc1ccsc1C(CNC(=O)c1cc(=O)c2ccccc2[nH]1)N(C)C
InChIInChI=1S/C19H21N3O2S/c1-12-8-9-25-18(12)16(22(2)3)11-20-19(24)15-10-17(23)13-6-4-5-7-14(13)21-15/h4-10,16H,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyMDQMNDKYDKGVFJ-UHFFFAOYSA-N
XLogP2.93
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide (CID 56723483) is N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide is Cc1ccsc1C(CNC(=O)c1cc(=O)c2ccccc2[nH]1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is MDQMNDKYDKGVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-8-9-25-18(12)16(22(2)3)11-20-19(24)15-10-17(23)13-6-4-5-7-14(13)21-15/h4-10,16H,11H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide?
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 56723483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).