6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one

C10H13N3O — CID 116939160

IUPAC6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNC(N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C10H13N3O/c11-10(12)7-1-3-8-6(5-7)2-4-9(14)13-8/h1,3,5,10H,2,4,11-12H2,(H,13,14)
InChIKeyYPYKULNXOMNFIP-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.49
Rot. Bonds1

About 6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one

6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116939160) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID116939160
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNC(N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C10H13N3O/c11-10(12)7-1-3-8-6(5-7)2-4-9(14)13-8/h1,3,5,10H,2,4,11-12H2,(H,13,14)
InChIKeyYPYKULNXOMNFIP-UHFFFAOYSA-N
XLogP0.49
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile
CID 116851011
6-[amino-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43464148
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile
CID 116940387
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79685089
6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107950188
6-(2-amino-1-cyclopropylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82288916
6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 63798074

Frequently Asked Questions

What is the IUPAC name of 6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one (CID 116939160) is 6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one is NC(N)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YPYKULNXOMNFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-10(12)7-1-3-8-6(5-7)2-4-9(14)13-8/h1,3,5,10H,2,4,11-12H2,(H,13,14).
What are the key properties of 6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one?
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116939160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).