ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane

C17H31NO — CID 145019261

IUPACethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane
SMILESCC.CC.CCC.Cc1cc(=O)c2ccccc2[nH]1.[H][H]
InChIInChI=1S/C10H9NO.C3H8.2C2H6.H2/c1-7-6-10(12)8-4-2-3-5-9(8)11-7;1-3-2;2*1-2;/h2-6H,1H3,(H,11,12);3H2,1-2H3;2*1-2H3;1H
InChIKeyAIODIKFIWJDKHB-UHFFFAOYSA-N
MW265.44 g/mol
LogP5.55
Rot. Bonds

About ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane

ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane (PubChem CID 145019261) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane.

Molecular Properties

Compound Nameethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane
PubChem CID145019261
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Nameethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane
SMILESCC.CC.CCC.Cc1cc(=O)c2ccccc2[nH]1.[H][H]
InChIInChI=1S/C10H9NO.C3H8.2C2H6.H2/c1-7-6-10(12)8-4-2-3-5-9(8)11-7;1-3-2;2*1-2;/h2-6H,1H3,(H,11,12);3H2,1-2H3;2*1-2H3;1H
InChIKeyAIODIKFIWJDKHB-UHFFFAOYSA-N
XLogP5.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

aniline;2-methyl-1H-quinolin-4-one
CID 162249477
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2-methyl-1H-1,8-naphthyridin-4-one;propane
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bis(9H-carbazole);propane
CID 90987002
2-heptyl-1H-quinolin-4-one
CID 172676765
2-(ethylaminomethyl)-1H-quinolin-4-one
CID 71077140
2-heptyl-1H-quinolin-4-one
CID 172676764
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
10H-acridin-9-one;ethane
CID 91525380
2-(4-tert-butyl-2-ethylphenyl)-1H-quinolin-4-one
CID 169256836

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane?
The IUPAC name of ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane (CID 145019261) is ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane.
What is the SMILES notation for ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane?
The canonical SMILES for ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane is CC.CC.CCC.Cc1cc(=O)c2ccccc2[nH]1.[H][H].
What is the InChIKey of ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane?
The InChIKey is AIODIKFIWJDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C3H8.2C2H6.H2/c1-7-6-10(12)8-4-2-3-5-9(8)11-7;1-3-2;2*1-2;/h2-6H,1H3,(H,11,12);3H2,1-2H3;2*1-2H3;1H.
What are the key properties of ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane?
ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane has a molecular weight of 265.44 g/mol, XLogP of 5.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane is sourced from PubChem (CID 145019261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).