7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one

C27H24N2O3 — CID 19369485

IUPAC7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2cc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)ccc21
InChIInChI=1S/C27H24N2O3/c30-27-25-14-13-24(16-21(25)5-3-15-28-27)31-17-19-7-11-23(12-8-19)32-18-22-10-9-20-4-1-2-6-26(20)29-22/h1-2,4,6-14,16H,3,5,15,17-18H2,(H,28,30)
InChIKeyGFXOMWRKHYGZIA-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.07
Rot. Bonds6

About 7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one

7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 19369485) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID19369485
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2cc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)ccc21
InChIInChI=1S/C27H24N2O3/c30-27-25-14-13-24(16-21(25)5-3-15-28-27)31-17-19-7-11-23(12-8-19)32-18-22-10-9-20-4-1-2-6-26(20)29-22/h1-2,4,6-14,16H,3,5,15,17-18H2,(H,28,30)
InChIKeyGFXOMWRKHYGZIA-UHFFFAOYSA-N
XLogP5.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one with MolForge

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Related Compounds

7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 167785143
3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one
CID 22443419
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 167783026
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
2-(phenoxymethyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 90645513
6-[(3,4-difluorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 69038466
2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one
CID 54014151
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine
CID 54120459
2-[[4-[[4-(1H-1,2,4-triazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 21014285

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 19369485) is 7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one is O=C1NCCCc2cc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)ccc21.
What is the InChIKey of 7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is GFXOMWRKHYGZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c30-27-25-14-13-24(16-21(25)5-3-15-28-27)31-17-19-7-11-23(12-8-19)32-18-22-10-9-20-4-1-2-6-26(20)29-22/h1-2,4,6-14,16H,3,5,15,17-18H2,(H,28,30).
What are the key properties of 7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 424.50 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 19369485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).