1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one

C16H15N3O — CID 62465636

IUPAC1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one
SMILESCNc1cc(Cn2ccc(=O)c3ccccc32)ccn1
InChIInChI=1S/C16H15N3O/c1-17-16-10-12(6-8-18-16)11-19-9-7-15(20)13-4-2-3-5-14(13)19/h2-10H,11H2,1H3,(H,17,18)
InChIKeyIXCPLJMFPOJTTG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.49
Rot. Bonds3

About 1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one

1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one (PubChem CID 62465636) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one.

Molecular Properties

Compound Name1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one
PubChem CID62465636
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one
SMILESCNc1cc(Cn2ccc(=O)c3ccccc32)ccn1
InChIInChI=1S/C16H15N3O/c1-17-16-10-12(6-8-18-16)11-19-9-7-15(20)13-4-2-3-5-14(13)19/h2-10H,11H2,1H3,(H,17,18)
InChIKeyIXCPLJMFPOJTTG-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one?
The IUPAC name of 1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one (CID 62465636) is 1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one.
What is the SMILES notation for 1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one?
The canonical SMILES for 1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one is CNc1cc(Cn2ccc(=O)c3ccccc32)ccn1.
What is the InChIKey of 1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one?
The InChIKey is IXCPLJMFPOJTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-17-16-10-12(6-8-18-16)11-19-9-7-15(20)13-4-2-3-5-14(13)19/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of 1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one?
1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one is sourced from PubChem (CID 62465636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).