[4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H24N2O2 — CID 115439469

IUPAC[4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)C1(CN)CCOCC1)CCC2
InChIInChI=1S/C17H24N2O2/c1-13-4-2-5-14-6-3-9-19(15(13)14)16(20)17(12-18)7-10-21-11-8-17/h2,4-5H,3,6-12,18H2,1H3
InChIKeyOVOOFXHJMGSIMS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.03
Rot. Bonds2

About [4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 115439469) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID115439469
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)C1(CN)CCOCC1)CCC2
InChIInChI=1S/C17H24N2O2/c1-13-4-2-5-14-6-3-9-19(15(13)14)16(20)17(12-18)7-10-21-11-8-17/h2,4-5H,3,6-12,18H2,1H3
InChIKeyOVOOFXHJMGSIMS-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 81088199
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897677
1-[4-(aminomethyl)oxan-4-yl]-2-(2,6-dimethylphenyl)ethanone
CID 116603088
[4-(aminomethyl)oxan-4-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120933176
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-methylsulfanylbutan-1-one
CID 61253817
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 120929973
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115441389
(3,5-dimethyl-1,2-oxazol-4-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47131464
[4-(aminomethyl)oxan-4-yl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120930200
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 120929972

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 115439469) is [4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cccc2c1N(C(=O)C1(CN)CCOCC1)CCC2.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is OVOOFXHJMGSIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-4-2-5-14-6-3-9-19(15(13)14)16(20)17(12-18)7-10-21-11-8-17/h2,4-5H,3,6-12,18H2,1H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 115439469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).