formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one

C22H19NO2 — CID 90836953

IUPACformaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESC=O.O=C1NC(c2ccc(-c3ccccc3)cc2)Cc2ccccc21
InChIInChI=1S/C21H17NO.CH2O/c23-21-19-9-5-4-8-18(19)14-20(22-21)17-12-10-16(11-13-17)15-6-2-1-3-7-15;1-2/h1-13,20H,14H2,(H,22,23);1H2
InChIKeyAVMMEUHGKKGOCY-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.20
Rot. Bonds2

About formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one

formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 90836953) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Nameformaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID90836953
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Nameformaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESC=O.O=C1NC(c2ccc(-c3ccccc3)cc2)Cc2ccccc21
InChIInChI=1S/C21H17NO.CH2O/c23-21-19-9-5-4-8-18(19)14-20(22-21)17-12-10-16(11-13-17)15-6-2-1-3-7-15;1-2/h1-13,20H,14H2,(H,22,23);1H2
InChIKeyAVMMEUHGKKGOCY-UHFFFAOYSA-N
XLogP4.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
CID 15416039
(3S)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 102288826
(2E,13S)-2,13-diphenyl-10,12-diazatricyclo[13.4.0.04,9]nonadeca-1(19),2,4,6,8,15,17-heptaen-11-one
CID 154707272
4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 102550817
6-(4-phenylphenyl)diazinan-3-one
CID 21146041
(3S)-3-ethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 92977970
11-azatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-one
CID 91060740
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 118856234
6-[4-(5-oxopyrrolidin-2-yl)phenyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 167968055
1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one
CID 11538084
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370

Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one (CID 90836953) is formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one is C=O.O=C1NC(c2ccc(-c3ccccc3)cc2)Cc2ccccc21.
What is the InChIKey of formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is AVMMEUHGKKGOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO.CH2O/c23-21-19-9-5-4-8-18(19)14-20(22-21)17-12-10-16(11-13-17)15-6-2-1-3-7-15;1-2/h1-13,20H,14H2,(H,22,23);1H2.
What are the key properties of formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one?
formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 329.40 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 90836953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).