1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone

C15H18N2O2 — CID 3008495

IUPAC1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone
SMILESCOc1c(C(C)=O)cc(N)c2nc(C(C)C)ccc12
InChIInChI=1S/C15H18N2O2/c1-8(2)13-6-5-10-14(17-13)12(16)7-11(9(3)18)15(10)19-4/h5-8H,16H2,1-4H3
InChIKeyNODNOKYSBFXUNT-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.15
Rot. Bonds3

About 1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone

1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone (PubChem CID 3008495) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone
PubChem CID3008495
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone
SMILESCOc1c(C(C)=O)cc(N)c2nc(C(C)C)ccc12
InChIInChI=1S/C15H18N2O2/c1-8(2)13-6-5-10-14(17-13)12(16)7-11(9(3)18)15(10)19-4/h5-8H,16H2,1-4H3
InChIKeyNODNOKYSBFXUNT-UHFFFAOYSA-N
XLogP3.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone?
The IUPAC name of 1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone (CID 3008495) is 1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone.
What is the SMILES notation for 1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone?
The canonical SMILES for 1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone is COc1c(C(C)=O)cc(N)c2nc(C(C)C)ccc12.
What is the InChIKey of 1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone?
The InChIKey is NODNOKYSBFXUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-8(2)13-6-5-10-14(17-13)12(16)7-11(9(3)18)15(10)19-4/h5-8H,16H2,1-4H3.
What are the key properties of 1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone?
1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone is sourced from PubChem (CID 3008495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).