1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane

C17H27NO — CID 177158483

IUPAC1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane
SMILESCC.CC(C)c1ccc2c(c1)N(C(C)C)C(=O)CC2
InChIInChI=1S/C15H21NO.C2H6/c1-10(2)13-6-5-12-7-8-15(17)16(11(3)4)14(12)9-13;1-2/h5-6,9-11H,7-8H2,1-4H3;1-2H3
InChIKeyGYVMDRWEJSNYBN-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.52
Rot. Bonds2

About 1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane

1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane (PubChem CID 177158483) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane.

Molecular Properties

Compound Name1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane
PubChem CID177158483
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane
SMILESCC.CC(C)c1ccc2c(c1)N(C(C)C)C(=O)CC2
InChIInChI=1S/C15H21NO.C2H6/c1-10(2)13-6-5-12-7-8-15(17)16(11(3)4)14(12)9-13;1-2/h5-6,9-11H,7-8H2,1-4H3;1-2H3
InChIKeyGYVMDRWEJSNYBN-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane with MolForge

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Related Compounds

7-fluoro-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 163270720
1-ethyl-6-propan-2-yl-3H-indol-2-one
CID 134294019
6-fluoro-1-propan-2-yl-3H-indol-2-one
CID 117206076
1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 178034181
1,2-dimethyl-7-propan-2-yl-3,4-dihydro-2H-quinoline
CID 141033194
6-[2-(methylamino)ethyl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 117044162
7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one
CID 89022817
2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one
CID 82277850
11-methyl-3-pentan-3-yl-9-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine
CID 163960465
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
ethane;2-methyl-6-propan-2-yl-3H-isoindol-1-one
CID 164902233

Frequently Asked Questions

What is the IUPAC name of 1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane?
The IUPAC name of 1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane (CID 177158483) is 1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane.
What is the SMILES notation for 1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane?
The canonical SMILES for 1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane is CC.CC(C)c1ccc2c(c1)N(C(C)C)C(=O)CC2.
What is the InChIKey of 1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane?
The InChIKey is GYVMDRWEJSNYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C2H6/c1-10(2)13-6-5-12-7-8-15(17)16(11(3)4)14(12)9-13;1-2/h5-6,9-11H,7-8H2,1-4H3;1-2H3.
What are the key properties of 1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane?
1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane has a molecular weight of 261.41 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-di(propan-2-yl)-3,4-dihydroquinolin-2-one;ethane is sourced from PubChem (CID 177158483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).