6-amino-3-(aminomethyl)-1H-quinolin-2-one

C10H11N3O — CID 82504541

IUPAC6-amino-3-(aminomethyl)-1H-quinolin-2-one
SMILESNCc1cc2cc(N)ccc2[nH]c1=O
InChIInChI=1S/C10H11N3O/c11-5-7-3-6-4-8(12)1-2-9(6)13-10(7)14/h1-4H,5,11-12H2,(H,13,14)
InChIKeyAVWISHMAOJETTI-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.57
Rot. Bonds1

About 6-amino-3-(aminomethyl)-1H-quinolin-2-one

6-amino-3-(aminomethyl)-1H-quinolin-2-one (PubChem CID 82504541) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-amino-3-(aminomethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-3-(aminomethyl)-1H-quinolin-2-one
PubChem CID82504541
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name6-amino-3-(aminomethyl)-1H-quinolin-2-one
SMILESNCc1cc2cc(N)ccc2[nH]c1=O
InChIInChI=1S/C10H11N3O/c11-5-7-3-6-4-8(12)1-2-9(6)13-10(7)14/h1-4H,5,11-12H2,(H,13,14)
InChIKeyAVWISHMAOJETTI-UHFFFAOYSA-N
XLogP0.57
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-3-ethyl-1H-quinolin-2-one
CID 172552849
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
6-amino-3-methyl-1H-quinolin-2-one
CID 28809409
6-amino-3-phenyl-1H-quinolin-2-one
CID 118872239
3-(4-aminobutyl)-6-chloro-1H-quinolin-2-one
CID 84634074
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one
CID 84627729
9-amino-1,4-dihydrobenzo[f]quinoxaline-2,3-dione;hydrochloride
CID 67674687
6-amino-3-(2-oxopropoxy)-1H-quinolin-2-one;molecular hydrogen;hydrochloride
CID 156729282
2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
CID 89071346
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane
CID 170632349

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(aminomethyl)-1H-quinolin-2-one?
The IUPAC name of 6-amino-3-(aminomethyl)-1H-quinolin-2-one (CID 82504541) is 6-amino-3-(aminomethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-3-(aminomethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-amino-3-(aminomethyl)-1H-quinolin-2-one is NCc1cc2cc(N)ccc2[nH]c1=O.
What is the InChIKey of 6-amino-3-(aminomethyl)-1H-quinolin-2-one?
The InChIKey is AVWISHMAOJETTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-5-7-3-6-4-8(12)1-2-9(6)13-10(7)14/h1-4H,5,11-12H2,(H,13,14).
What are the key properties of 6-amino-3-(aminomethyl)-1H-quinolin-2-one?
6-amino-3-(aminomethyl)-1H-quinolin-2-one has a molecular weight of 189.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(aminomethyl)-1H-quinolin-2-one is sourced from PubChem (CID 82504541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).