[5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C24H22N2O2S — CID 2314002

IUPAC[5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCCc3ccccc32)s1)N1CCCc2ccccc21
InChIInChI=1S/C24H22N2O2S/c27-23(25-15-5-9-17-7-1-3-11-19(17)25)21-13-14-22(29-21)24(28)26-16-6-10-18-8-2-4-12-20(18)26/h1-4,7-8,11-14H,5-6,9-10,15-16H2
InChIKeyHMLLXAPFHIVKFF-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.93
Rot. Bonds2

About [5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 2314002) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is [5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID2314002
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name[5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCCc3ccccc32)s1)N1CCCc2ccccc21
InChIInChI=1S/C24H22N2O2S/c27-23(25-15-5-9-17-7-1-3-11-19(17)25)21-13-14-22(29-21)24(28)26-16-6-10-18-8-2-4-12-20(18)26/h1-4,7-8,11-14H,5-6,9-10,15-16H2
InChIKeyHMLLXAPFHIVKFF-UHFFFAOYSA-N
XLogP4.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 2314002) is [5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(C(=O)N2CCCc3ccccc32)s1)N1CCCc2ccccc21.
What is the InChIKey of [5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HMLLXAPFHIVKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c27-23(25-15-5-9-17-7-1-3-11-19(17)25)21-13-14-22(29-21)24(28)26-16-6-10-18-8-2-4-12-20(18)26/h1-4,7-8,11-14H,5-6,9-10,15-16H2.
What are the key properties of [5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 402.52 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dihydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 2314002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).