(3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C17H24N2O — CID 106982195

IUPAC(3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCC(C)C1(C(=O)C2CCCc3cccnc32)CCNC1
InChIInChI=1S/C17H24N2O/c1-12(2)17(8-10-18-11-17)16(20)14-7-3-5-13-6-4-9-19-15(13)14/h4,6,9,12,14,18H,3,5,7-8,10-11H2,1-2H3
InChIKeyGSNNTBLOZJYXHZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.71
Rot. Bonds3

About (3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 106982195) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID106982195
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCC(C)C1(C(=O)C2CCCc3cccnc32)CCNC1
InChIInChI=1S/C17H24N2O/c1-12(2)17(8-10-18-11-17)16(20)14-7-3-5-13-6-4-9-19-15(13)14/h4,6,9,12,14,18H,3,5,7-8,10-11H2,1-2H3
InChIKeyGSNNTBLOZJYXHZ-UHFFFAOYSA-N
XLogP2.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone with MolForge

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Related Compounds

(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116707061
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115783694
pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116568328
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one
CID 116574249
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline
CID 79748728
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 106982195) is (3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is CC(C)C1(C(=O)C2CCCc3cccnc32)CCNC1.
What is the InChIKey of (3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is GSNNTBLOZJYXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)17(8-10-18-11-17)16(20)14-7-3-5-13-6-4-9-19-15(13)14/h4,6,9,12,14,18H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of (3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 106982195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).