5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H17N3O2 — CID 81107829

IUPAC5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOc1ccc(NC2CCCc3[nH]c(=O)ccc32)cn1
InChIInChI=1S/C15H17N3O2/c1-20-15-8-5-10(9-16-15)17-12-3-2-4-13-11(12)6-7-14(19)18-13/h5-9,12,17H,2-4H2,1H3,(H,18,19)
InChIKeyZVUHBHQPLKKWCU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.27
Rot. Bonds3

About 5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81107829) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81107829
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOc1ccc(NC2CCCc3[nH]c(=O)ccc32)cn1
InChIInChI=1S/C15H17N3O2/c1-20-15-8-5-10(9-16-15)17-12-3-2-4-13-11(12)6-7-14(19)18-13/h5-9,12,17H,2-4H2,1H3,(H,18,19)
InChIKeyZVUHBHQPLKKWCU-UHFFFAOYSA-N
XLogP2.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81107829) is 5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is COc1ccc(NC2CCCc3[nH]c(=O)ccc32)cn1.
What is the InChIKey of 5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is ZVUHBHQPLKKWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-15-8-5-10(9-16-15)17-12-3-2-4-13-11(12)6-7-14(19)18-13/h5-9,12,17H,2-4H2,1H3,(H,18,19).
What are the key properties of 5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-3-pyridinyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81107829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).