4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one

C17H26N2O — CID 120560186

IUPAC4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCCc2cc(C(C)C)ccc21
InChIInChI=1S/C17H26N2O/c1-12(2)14-7-8-16-15(11-14)5-4-10-19(16)17(20)9-6-13(3)18/h7-8,11-13H,4-6,9-10,18H2,1-3H3
InChIKeyGUOHVNGYMKFQLE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.22
Rot. Bonds4

About 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one

4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one (PubChem CID 120560186) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
PubChem CID120560186
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCCc2cc(C(C)C)ccc21
InChIInChI=1S/C17H26N2O/c1-12(2)14-7-8-16-15(11-14)5-4-10-19(16)17(20)9-6-13(3)18/h7-8,11-13H,4-6,9-10,18H2,1-3H3
InChIKeyGUOHVNGYMKFQLE-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one (CID 120560186) is 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one is CC(N)CCC(=O)N1CCCc2cc(C(C)C)ccc21.
What is the InChIKey of 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The InChIKey is GUOHVNGYMKFQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)14-7-8-16-15(11-14)5-4-10-19(16)17(20)9-6-13(3)18/h7-8,11-13H,4-6,9-10,18H2,1-3H3.
What are the key properties of 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one is sourced from PubChem (CID 120560186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).