4-(aminomethyl)-1H-quinolin-2-one

C10H10N2O — CID 14816728

IUPAC4-(aminomethyl)-1H-quinolin-2-one
SMILESNCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C10H10N2O/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6,11H2,(H,12,13)
InChIKeyRDXKAGOGKMCTBH-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.99
Rot. Bonds1

About 4-(aminomethyl)-1H-quinolin-2-one

4-(aminomethyl)-1H-quinolin-2-one (PubChem CID 14816728) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(aminomethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1H-quinolin-2-one
PubChem CID14816728
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-(aminomethyl)-1H-quinolin-2-one
SMILESNCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C10H10N2O/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6,11H2,(H,12,13)
InChIKeyRDXKAGOGKMCTBH-UHFFFAOYSA-N
XLogP0.99
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1H-quinolin-2-one?
The IUPAC name of 4-(aminomethyl)-1H-quinolin-2-one (CID 14816728) is 4-(aminomethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(aminomethyl)-1H-quinolin-2-one is NCc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-(aminomethyl)-1H-quinolin-2-one?
The InChIKey is RDXKAGOGKMCTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6,11H2,(H,12,13).
What are the key properties of 4-(aminomethyl)-1H-quinolin-2-one?
4-(aminomethyl)-1H-quinolin-2-one has a molecular weight of 174.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1H-quinolin-2-one is sourced from PubChem (CID 14816728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).