N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide

C21H18N2O2S — CID 2980459

IUPACN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccs1
InChIInChI=1S/C21H18N2O2S/c24-20(19-8-4-14-26-19)22-17-11-9-16(10-12-17)21(25)23-13-3-6-15-5-1-2-7-18(15)23/h1-2,4-5,7-12,14H,3,6,13H2,(H,22,24)
InChIKeyTUDWFVJDMYFQLB-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.59
Rot. Bonds3

About N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide

N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 2980459) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID2980459
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccs1
InChIInChI=1S/C21H18N2O2S/c24-20(19-8-4-14-26-19)22-17-11-9-16(10-12-17)21(25)23-13-3-6-15-5-1-2-7-18(15)23/h1-2,4-5,7-12,14H,3,6,13H2,(H,22,24)
InChIKeyTUDWFVJDMYFQLB-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 2980459) is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccs1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is TUDWFVJDMYFQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-20(19-8-4-14-26-19)22-17-11-9-16(10-12-17)21(25)23-13-3-6-15-5-1-2-7-18(15)23/h1-2,4-5,7-12,14H,3,6,13H2,(H,22,24).
What are the key properties of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2980459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).