1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone

C23H21NO — CID 1240617

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C23H21NO/c25-23(24-17-9-15-18-10-7-8-16-21(18)24)22(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-8,10-14,16,22H,9,15,17H2
InChIKeyCHXXNDHWMQOOFN-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.80
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone (PubChem CID 1240617) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone
PubChem CID1240617
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C23H21NO/c25-23(24-17-9-15-18-10-7-8-16-21(18)24)22(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-8,10-14,16,22H,9,15,17H2
InChIKeyCHXXNDHWMQOOFN-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone (CID 1240617) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone?
The InChIKey is CHXXNDHWMQOOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-23(24-17-9-15-18-10-7-8-16-21(18)24)22(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-8,10-14,16,22H,9,15,17H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone has a molecular weight of 327.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-diphenylethanone is sourced from PubChem (CID 1240617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).