2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one

C23H28N2O — CID 151944573

IUPAC2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
SMILESCC(C(=O)C(C)N1CCCc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C23H28N2O/c1-17(24-15-7-11-19-9-3-5-13-21(19)24)23(26)18(2)25-16-8-12-20-10-4-6-14-22(20)25/h3-6,9-10,13-14,17-18H,7-8,11-12,15-16H2,1-2H3
InChIKeyTVJQZPCQENGWDD-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.24
Rot. Bonds4

About 2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one

2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one (PubChem CID 151944573) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
PubChem CID151944573
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
SMILESCC(C(=O)C(C)N1CCCc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C23H28N2O/c1-17(24-15-7-11-19-9-3-5-13-21(19)24)23(26)18(2)25-16-8-12-20-10-4-6-14-22(20)25/h3-6,9-10,13-14,17-18H,7-8,11-12,15-16H2,1-2H3
InChIKeyTVJQZPCQENGWDD-UHFFFAOYSA-N
XLogP4.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 24506586
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(propan-2-ylcarbamoyl)propanamide
CID 51242293
benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 139697216
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800848
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbutanoyl chloride
CID 82041996
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-ol
CID 121357629
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 26551728
N-(cyclopropylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 51281393
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 9249756
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one?
The IUPAC name of 2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one (CID 151944573) is 2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one.
What is the SMILES notation for 2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one?
The canonical SMILES for 2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one is CC(C(=O)C(C)N1CCCc2ccccc21)N1CCCc2ccccc21.
What is the InChIKey of 2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one?
The InChIKey is TVJQZPCQENGWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17(24-15-7-11-19-9-3-5-13-21(19)24)23(26)18(2)25-16-8-12-20-10-4-6-14-22(20)25/h3-6,9-10,13-14,17-18H,7-8,11-12,15-16H2,1-2H3.
What are the key properties of 2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one?
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one has a molecular weight of 348.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one is sourced from PubChem (CID 151944573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).