2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C25H26N2O — CID 15945236

IUPAC2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(NC(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C25H26N2O/c1-19(25(28)27-18-10-16-20-11-8-9-17-23(20)27)26-24(21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-9,11-15,17,19,24,26H,10,16,18H2,1H3
InChIKeyWELKZOGJWUTYHD-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.73
Rot. Bonds5

About 2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 15945236) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID15945236
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(NC(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C25H26N2O/c1-19(25(28)27-18-10-16-20-11-8-9-17-23(20)27)26-24(21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-9,11-15,17,19,24,26H,10,16,18H2,1H3
InChIKeyWELKZOGJWUTYHD-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 15945236) is 2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CC(NC(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is WELKZOGJWUTYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-19(25(28)27-18-10-16-20-11-8-9-17-23(20)27)26-24(21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-9,11-15,17,19,24,26H,10,16,18H2,1H3.
What are the key properties of 2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 370.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 15945236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).