N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide

C20H27N3OS — CID 20940510

IUPACN-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(N2CCCc3ccccc32)s1
InChIInChI=1S/C20H27N3OS/c1-3-22(4-2)15-13-21-20(24)18-11-12-19(25-18)23-14-7-9-16-8-5-6-10-17(16)23/h5-6,8,10-12H,3-4,7,9,13-15H2,1-2H3,(H,21,24)
InChIKeyAKEDEYUXCLHUGG-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.90
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide

N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide (PubChem CID 20940510) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide
PubChem CID20940510
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(N2CCCc3ccccc32)s1
InChIInChI=1S/C20H27N3OS/c1-3-22(4-2)15-13-21-20(24)18-11-12-19(25-18)23-14-7-9-16-8-5-6-10-17(16)23/h5-6,8,10-12H,3-4,7,9,13-15H2,1-2H3,(H,21,24)
InChIKeyAKEDEYUXCLHUGG-UHFFFAOYSA-N
XLogP3.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide (CID 20940510) is N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(N2CCCc3ccccc32)s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide?
The InChIKey is AKEDEYUXCLHUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-3-22(4-2)15-13-21-20(24)18-11-12-19(25-18)23-14-7-9-16-8-5-6-10-17(16)23/h5-6,8,10-12H,3-4,7,9,13-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide?
N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 20940510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).