8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one

C23H28N2O2 — CID 175415793

IUPAC8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one
SMILESCCC(Cc1cccc(COc2cccc3ccc(=O)[nH]c23)c1)NC(C)C
InChIInChI=1S/C23H28N2O2/c1-4-20(24-16(2)3)14-17-7-5-8-18(13-17)15-27-21-10-6-9-19-11-12-22(26)25-23(19)21/h5-13,16,20,24H,4,14-15H2,1-3H3,(H,25,26)
InChIKeyUAENEHAADYIXII-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.43
Rot. Bonds8

About 8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one

8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one (PubChem CID 175415793) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one
PubChem CID175415793
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one
SMILESCCC(Cc1cccc(COc2cccc3ccc(=O)[nH]c23)c1)NC(C)C
InChIInChI=1S/C23H28N2O2/c1-4-20(24-16(2)3)14-17-7-5-8-18(13-17)15-27-21-10-6-9-19-11-12-22(26)25-23(19)21/h5-13,16,20,24H,4,14-15H2,1-3H3,(H,25,26)
InChIKeyUAENEHAADYIXII-UHFFFAOYSA-N
XLogP4.43
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(3-methoxyphenyl)methoxy]-1H-quinolin-2-one
CID 82108279
2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid
CID 82108362
methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate
CID 66917774
2-[(2-oxo-1H-quinolin-8-yl)oxy]-N-(2-phenylethyl)acetamide
CID 82108249
2-[(2-oxo-1H-quinolin-8-yl)oxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 82108253
5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 164875331
3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide
CID 891835
diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate
CID 154727047
2-chloro-8-phenylmethoxyquinoline;1H-quinolin-2-one
CID 160714848
8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 82108347
8-propyl-1H-quinolin-2-one
CID 10877864
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
CID 79412796

Frequently Asked Questions

What is the IUPAC name of 8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one?
The IUPAC name of 8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one (CID 175415793) is 8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one.
What is the SMILES notation for 8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one?
The canonical SMILES for 8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one is CCC(Cc1cccc(COc2cccc3ccc(=O)[nH]c23)c1)NC(C)C.
What is the InChIKey of 8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one?
The InChIKey is UAENEHAADYIXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-20(24-16(2)3)14-17-7-5-8-18(13-17)15-27-21-10-6-9-19-11-12-22(26)25-23(19)21/h5-13,16,20,24H,4,14-15H2,1-3H3,(H,25,26).
What are the key properties of 8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one?
8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one has a molecular weight of 364.49 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-[2-(propan-2-ylamino)butyl]phenyl]methoxy]-1H-quinolin-2-one is sourced from PubChem (CID 175415793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).