1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one

C18H28N2O2 — CID 82522169

IUPAC1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)NCc1cc2c(n(CC3CCCO3)c1=O)CCCC2
InChIInChI=1S/C18H28N2O2/c1-13(2)19-11-15-10-14-6-3-4-8-17(14)20(18(15)21)12-16-7-5-9-22-16/h10,13,16,19H,3-9,11-12H2,1-2H3
InChIKeyDRHSCIXBAZLEBK-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.40
Rot. Bonds5

About 1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one

1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82522169) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82522169
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)NCc1cc2c(n(CC3CCCO3)c1=O)CCCC2
InChIInChI=1S/C18H28N2O2/c1-13(2)19-11-15-10-14-6-3-4-8-17(14)20(18(15)21)12-16-7-5-9-22-16/h10,13,16,19H,3-9,11-12H2,1-2H3
InChIKeyDRHSCIXBAZLEBK-UHFFFAOYSA-N
XLogP2.40
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one (CID 82522169) is 1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one is CC(C)NCc1cc2c(n(CC3CCCO3)c1=O)CCCC2.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is DRHSCIXBAZLEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)19-11-15-10-14-6-3-4-8-17(14)20(18(15)21)12-16-7-5-9-22-16/h10,13,16,19H,3-9,11-12H2,1-2H3.
What are the key properties of 1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 304.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82522169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).