1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone

C16H22N2O2 — CID 103555258

IUPAC1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CCC(N)c3ccccc32)CCC1
InChIInChI=1S/C16H22N2O2/c1-20-16(8-4-9-16)11-15(19)18-10-7-13(17)12-5-2-3-6-14(12)18/h2-3,5-6,13H,4,7-11,17H2,1H3
InChIKeySREHPIPATNYNPA-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.38
Rot. Bonds3

About 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone

1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103555258) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103555258
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CCC(N)c3ccccc32)CCC1
InChIInChI=1S/C16H22N2O2/c1-20-16(8-4-9-16)11-15(19)18-10-7-13(17)12-5-2-3-6-14(12)18/h2-3,5-6,13H,4,7-11,17H2,1H3
InChIKeySREHPIPATNYNPA-UHFFFAOYSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone (CID 103555258) is 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)N2CCC(N)c3ccccc32)CCC1.
What is the InChIKey of 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is SREHPIPATNYNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-16(8-4-9-16)11-15(19)18-10-7-13(17)12-5-2-3-6-14(12)18/h2-3,5-6,13H,4,7-11,17H2,1H3.
What are the key properties of 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 274.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103555258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).