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

C27H26N2O2 — CID 3397137

IUPAC1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
SMILESO=C(C(C(=O)N1CCCc2ccccc21)c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C27H26N2O2/c30-26(28-18-8-14-20-10-4-6-16-23(20)28)25(22-12-2-1-3-13-22)27(31)29-19-9-15-21-11-5-7-17-24(21)29/h1-7,10-13,16-17,25H,8-9,14-15,18-19H2
InChIKeyCKKGWAPPNXIYFM-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.73
Rot. Bonds3

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

1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione (PubChem CID 3397137) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
PubChem CID3397137
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
SMILESO=C(C(C(=O)N1CCCc2ccccc21)c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C27H26N2O2/c30-26(28-18-8-14-20-10-4-6-16-23(20)28)25(22-12-2-1-3-13-22)27(31)29-19-9-15-21-11-5-7-17-24(21)29/h1-7,10-13,16-17,25H,8-9,14-15,18-19H2
InChIKeyCKKGWAPPNXIYFM-UHFFFAOYSA-N
XLogP4.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 1271070
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536652
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 24710591
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium
CID 8595991
2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 20930646
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
2,3-dimethyl-4-oxo-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanoic acid
CID 103498667
2-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-2-phenylacetonitrile
CID 112799371

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione?
The IUPAC name of 1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione (CID 3397137) is 1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione.
What is the SMILES notation for 1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione?
The canonical SMILES for 1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione is O=C(C(C(=O)N1CCCc2ccccc21)c1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of 1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione?
The InChIKey is CKKGWAPPNXIYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c30-26(28-18-8-14-20-10-4-6-16-23(20)28)25(22-12-2-1-3-13-22)27(31)29-19-9-15-21-11-5-7-17-24(21)29/h1-7,10-13,16-17,25H,8-9,14-15,18-19H2.
What are the key properties of 1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione?
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione has a molecular weight of 410.52 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione is sourced from PubChem (CID 3397137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).