(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

C22H25NO3 — CID 52909095

IUPAC(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESCc1cccc2c1N(C(=O)c1ccc(OC[C@@H]3CCCO3)cc1)CCC2
InChIInChI=1S/C22H25NO3/c1-16-5-2-6-17-7-3-13-23(21(16)17)22(24)18-9-11-19(12-10-18)26-15-20-8-4-14-25-20/h2,5-6,9-12,20H,3-4,7-8,13-15H2,1H3/t20-/m0/s1
InChIKeyIKVLQQQAIWKZJE-FQEVSTJZSA-N
MW351.45 g/mol
LogP4.15
Rot. Bonds4

About (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (PubChem CID 52909095) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
PubChem CID52909095
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESCc1cccc2c1N(C(=O)c1ccc(OC[C@@H]3CCCO3)cc1)CCC2
InChIInChI=1S/C22H25NO3/c1-16-5-2-6-17-7-3-13-23(21(16)17)22(24)18-9-11-19(12-10-18)26-15-20-8-4-14-25-20/h2,5-6,9-12,20H,3-4,7-8,13-15H2,1H3/t20-/m0/s1
InChIKeyIKVLQQQAIWKZJE-FQEVSTJZSA-N
XLogP4.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 51113851
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 3280482
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
N,N-diethyl-1-[4-(oxolan-2-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435482
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55481052
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 86908238
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 3471344
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
(3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 94814885

Frequently Asked Questions

What is the IUPAC name of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The IUPAC name of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (CID 52909095) is (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is Cc1cccc2c1N(C(=O)c1ccc(OC[C@@H]3CCCO3)cc1)CCC2.
What is the InChIKey of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The InChIKey is IKVLQQQAIWKZJE-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25NO3/c1-16-5-2-6-17-7-3-13-23(21(16)17)22(24)18-9-11-19(12-10-18)26-15-20-8-4-14-25-20/h2,5-6,9-12,20H,3-4,7-8,13-15H2,1H3/t20-/m0/s1.
What are the key properties of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone has a molecular weight of 351.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 52909095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).