1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one

C13H17N3O3 — CID 115179854

IUPAC1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one
SMILESNCc1ccc2c(c1)CCC(=O)N2C(=O)C(N)CO
InChIInChI=1S/C13H17N3O3/c14-6-8-1-3-11-9(5-8)2-4-12(18)16(11)13(19)10(15)7-17/h1,3,5,10,17H,2,4,6-7,14-15H2
InChIKeyNLHLUTKWCMBUOI-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.73
Rot. Bonds3

About 1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one

1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one (PubChem CID 115179854) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one
PubChem CID115179854
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one
SMILESNCc1ccc2c(c1)CCC(=O)N2C(=O)C(N)CO
InChIInChI=1S/C13H17N3O3/c14-6-8-1-3-11-9(5-8)2-4-12(18)16(11)13(19)10(15)7-17/h1,3,5,10,17H,2,4,6-7,14-15H2
InChIKeyNLHLUTKWCMBUOI-UHFFFAOYSA-N
XLogP-0.73
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(aminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]-2-oxoacetic acid
CID 115141312
methyl 6-(aminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190559
3-[6-(aminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxopropanenitrile
CID 115173082
6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one
CID 115157885
5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one
CID 115179585
5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one
CID 115186974
6-(aminomethyl)-1-(sulfanylmethyl)-3,4-dihydroquinolin-2-one
CID 115227916
5-(aminomethyl)-1-(4-amino-3-methylbutanoyl)-3H-indol-2-one
CID 115156370
6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one
CID 115251457
6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
CID 115170974
6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide
CID 115193038
6-amino-4-(2-amino-3-hydroxypropanoyl)-1,4-benzoxazin-3-one
CID 115179616

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one (CID 115179854) is 1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one is NCc1ccc2c(c1)CCC(=O)N2C(=O)C(N)CO.
What is the InChIKey of 1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is NLHLUTKWCMBUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-6-8-1-3-11-9(5-8)2-4-12(18)16(11)13(19)10(15)7-17/h1,3,5,10,17H,2,4,6-7,14-15H2.
What are the key properties of 1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one?
1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 263.30 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115179854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).