1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione

C27H34N2O2 — CID 5158868

IUPAC1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
SMILESO=C(CCCCCCCC(=O)N1CCCc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C27H34N2O2/c30-26(28-20-10-14-22-12-6-8-16-24(22)28)18-4-2-1-3-5-19-27(31)29-21-11-15-23-13-7-9-17-25(23)29/h6-9,12-13,16-17H,1-5,10-11,14-15,18-21H2
InChIKeyDPNZWPFZCARCII-UHFFFAOYSA-N
MW418.58 g/mol
LogP5.68
Rot. Bonds8

About 1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione

1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione (PubChem CID 5158868) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione.

Molecular Properties

Compound Name1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
PubChem CID5158868
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC Name1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
SMILESO=C(CCCCCCCC(=O)N1CCCc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C27H34N2O2/c30-26(28-20-10-14-22-12-6-8-16-24(22)28)18-4-2-1-3-5-19-27(31)29-21-11-15-23-13-7-9-17-25(23)29/h6-9,12-13,16-17H,1-5,10-11,14-15,18-21H2
InChIKeyDPNZWPFZCARCII-UHFFFAOYSA-N
XLogP5.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
CID 119747288
3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 100601838

Frequently Asked Questions

What is the IUPAC name of 1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione?
The IUPAC name of 1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione (CID 5158868) is 1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione.
What is the SMILES notation for 1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione?
The canonical SMILES for 1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione is O=C(CCCCCCCC(=O)N1CCCc2ccccc21)N1CCCc2ccccc21.
What is the InChIKey of 1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione?
The InChIKey is DPNZWPFZCARCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c30-26(28-20-10-14-22-12-6-8-16-24(22)28)18-4-2-1-3-5-19-27(31)29-21-11-15-23-13-7-9-17-25(23)29/h6-9,12-13,16-17H,1-5,10-11,14-15,18-21H2.
What are the key properties of 1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione?
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione has a molecular weight of 418.58 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione is sourced from PubChem (CID 5158868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).