3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

C18H26N2O3 — CID 132948422

IUPAC3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CNCC(O)COC(C)C)cc2c1
InChIInChI=1S/C18H26N2O3/c1-11(2)23-10-16(21)9-19-8-15-7-14-6-12(3)5-13(4)17(14)20-18(15)22/h5-7,11,16,19,21H,8-10H2,1-4H3,(H,20,22)
InChIKeyDDDFTYYSVWUPLD-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.02
Rot. Bonds7

About 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 132948422) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID132948422
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CNCC(O)COC(C)C)cc2c1
InChIInChI=1S/C18H26N2O3/c1-11(2)23-10-16(21)9-19-8-15-7-14-6-12(3)5-13(4)17(14)20-18(15)22/h5-7,11,16,19,21H,8-10H2,1-4H3,(H,20,22)
InChIKeyDDDFTYYSVWUPLD-UHFFFAOYSA-N
XLogP2.02
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 132948422) is 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(CNCC(O)COC(C)C)cc2c1.
What is the InChIKey of 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is DDDFTYYSVWUPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-11(2)23-10-16(21)9-19-8-15-7-14-6-12(3)5-13(4)17(14)20-18(15)22/h5-7,11,16,19,21H,8-10H2,1-4H3,(H,20,22).
What are the key properties of 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 132948422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).