(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone

C18H20N2OS — CID 110359613

IUPAC(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C18H20N2OS/c21-18(17-6-4-12-22-17)20-11-3-5-14-7-8-15(13-16(14)20)19-9-1-2-10-19/h4,6-8,12-13H,1-3,5,9-11H2
InChIKeyLKDYBMVVCDEXRY-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.94
Rot. Bonds2

About (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone

(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone (PubChem CID 110359613) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
PubChem CID110359613
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C18H20N2OS/c21-18(17-6-4-12-22-17)20-11-3-5-14-7-8-15(13-16(14)20)19-9-1-2-10-19/h4,6-8,12-13H,1-3,5,9-11H2
InChIKeyLKDYBMVVCDEXRY-UHFFFAOYSA-N
XLogP3.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 51106151
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]cyclohexanecarboxamide
CID 7517417
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517433
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide
CID 27555225
2,5-dichloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835031
3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517401
5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835024
2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 7517678
[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-thiophen-2-ylmethanone
CID 58857201
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315902

Frequently Asked Questions

What is the IUPAC name of (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone (CID 110359613) is (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCc2ccc(N3CCCC3)cc21.
What is the InChIKey of (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is LKDYBMVVCDEXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-18(17-6-4-12-22-17)20-11-3-5-14-7-8-15(13-16(14)20)19-9-1-2-10-19/h4,6-8,12-13H,1-3,5,9-11H2.
What are the key properties of (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 312.44 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 110359613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).