7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine

C17H18N4O — CID 91971389

IUPAC7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine
SMILESCNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
InChIKeyCCVIETYDINGXSM-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.51
Rot. Bonds5

About 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine

7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine (PubChem CID 91971389) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine
PubChem CID91971389
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine
SMILESCNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
InChIKeyCCVIETYDINGXSM-UHFFFAOYSA-N
XLogP2.51
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine?
The IUPAC name of 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine (CID 91971389) is 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine.
What is the SMILES notation for 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine?
The canonical SMILES for 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine is CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1.
What is the InChIKey of 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine?
The InChIKey is CCVIETYDINGXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21).
What are the key properties of 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine?
7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine is sourced from PubChem (CID 91971389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).