1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C21H26N2O4 — CID 167902580

IUPAC1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCOc1cc(CNc2ccc3c(c2)N(C(C)=O)CCC3)ccc1OCCO
InChIInChI=1S/C21H26N2O4/c1-15(25)23-9-3-4-17-6-7-18(13-19(17)23)22-14-16-5-8-20(27-11-10-24)21(12-16)26-2/h5-8,12-13,22,24H,3-4,9-11,14H2,1-2H3
InChIKeyOKKPWLOAYFFMJJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.98
Rot. Bonds7

About 1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 167902580) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID167902580
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCOc1cc(CNc2ccc3c(c2)N(C(C)=O)CCC3)ccc1OCCO
InChIInChI=1S/C21H26N2O4/c1-15(25)23-9-3-4-17-6-7-18(13-19(17)23)22-14-16-5-8-20(27-11-10-24)21(12-16)26-2/h5-8,12-13,22,24H,3-4,9-11,14H2,1-2H3
InChIKeyOKKPWLOAYFFMJJ-UHFFFAOYSA-N
XLogP2.98
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 7586304
1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 67223454
2-(3,4-dimethoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 16835104
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538656
3-[[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]methyl]benzoic acid
CID 122030518
2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 17211061
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3,4-dimethoxyphenyl)methanesulfonamide
CID 43990209
(2R)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 95003448
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 167902580) is 1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is COc1cc(CNc2ccc3c(c2)N(C(C)=O)CCC3)ccc1OCCO.
What is the InChIKey of 1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is OKKPWLOAYFFMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(25)23-9-3-4-17-6-7-18(13-19(17)23)22-14-16-5-8-20(27-11-10-24)21(12-16)26-2/h5-8,12-13,22,24H,3-4,9-11,14H2,1-2H3.
What are the key properties of 1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 370.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 167902580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).