2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one

C16H15N3O — CID 99977936

IUPAC2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1CNc1ccccn1
InChIInChI=1S/C16H15N3O/c1-11-13(10-18-15-8-4-5-9-17-15)16(20)12-6-2-3-7-14(12)19-11/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyQUTWHLXAUALMLV-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.84
Rot. Bonds3

About 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one

2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one (PubChem CID 99977936) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one
PubChem CID99977936
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1CNc1ccccn1
InChIInChI=1S/C16H15N3O/c1-11-13(10-18-15-8-4-5-9-17-15)16(20)12-6-2-3-7-14(12)19-11/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyQUTWHLXAUALMLV-UHFFFAOYSA-N
XLogP2.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one (CID 99977936) is 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one is Cc1[nH]c2ccccc2c(=O)c1CNc1ccccn1.
What is the InChIKey of 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one?
The InChIKey is QUTWHLXAUALMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-13(10-18-15-8-4-5-9-17-15)16(20)12-6-2-3-7-14(12)19-11/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one?
2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 99977936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).