benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium

C24H25N2O+ — CID 8595991

IUPACbenzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium
SMILESO=C(C[NH2+]C(c1ccccc1)c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C24H24N2O/c27-23(26-17-9-15-19-10-7-8-16-22(19)26)18-25-24(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-8,10-14,16,24-25H,9,15,17-18H2/p+1
InChIKeyKHQZZUIMFGYJMJ-UHFFFAOYSA-O
MW357.48 g/mol
LogP3.32
Rot. Bonds5

About benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium

benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium (PubChem CID 8595991) has the molecular formula C24H25N2O+ and a molecular weight of 357.48 g/mol. Its IUPAC name is benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium
PubChem CID8595991
Molecular FormulaC24H25N2O+
Molecular Weight357.48 g/mol
Exact Mass357.20
IUPAC Namebenzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium
SMILESO=C(C[NH2+]C(c1ccccc1)c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C24H24N2O/c27-23(26-17-9-15-19-10-7-8-16-22(19)26)18-25-24(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-8,10-14,16,24-25H,9,15,17-18H2/p+1
InChIKeyKHQZZUIMFGYJMJ-UHFFFAOYSA-O
XLogP3.32
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696037
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid
CID 123099669
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
CID 99217097
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432104
3-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 119950519
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium?
The IUPAC name of benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium (CID 8595991) is benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium.
What is the SMILES notation for benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium?
The canonical SMILES for benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium is O=C(C[NH2+]C(c1ccccc1)c1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium?
The InChIKey is KHQZZUIMFGYJMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24N2O/c27-23(26-17-9-15-19-10-7-8-16-22(19)26)18-25-24(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-8,10-14,16,24-25H,9,15,17-18H2/p+1.
What are the key properties of benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium?
benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium has a molecular weight of 357.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azanium is sourced from PubChem (CID 8595991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).