6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one

C14H21N3O — CID 117040081

IUPAC6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one
SMILESCC(CN)N1C(=O)CCc2cc(CCN)ccc21
InChIInChI=1S/C14H21N3O/c1-10(9-16)17-13-4-2-11(6-7-15)8-12(13)3-5-14(17)18/h2,4,8,10H,3,5-7,9,15-16H2,1H3
InChIKeyXVQOHKUCPMNOOB-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.81
Rot. Bonds4

About 6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one

6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one (PubChem CID 117040081) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one
PubChem CID117040081
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one
SMILESCC(CN)N1C(=O)CCc2cc(CCN)ccc21
InChIInChI=1S/C14H21N3O/c1-10(9-16)17-13-4-2-11(6-7-15)8-12(13)3-5-14(17)18/h2,4,8,10H,3,5-7,9,15-16H2,1H3
InChIKeyXVQOHKUCPMNOOB-UHFFFAOYSA-N
XLogP0.81
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 117039999
6-(2-aminoethyl)-4-(1-aminopropan-2-yl)-1,4-benzoxazin-3-one
CID 117040082
6-[2-(methylamino)ethyl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 117044162
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one
CID 115138116
5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
CID 115226042
6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82190766
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115197456
5-(2-aminoethyl)-1-(4-aminopentyl)-3H-indol-2-one
CID 115204017
1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one
CID 115154334
5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one
CID 117040206

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one (CID 117040081) is 6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one is CC(CN)N1C(=O)CCc2cc(CCN)ccc21.
What is the InChIKey of 6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one?
The InChIKey is XVQOHKUCPMNOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(9-16)17-13-4-2-11(6-7-15)8-12(13)3-5-14(17)18/h2,4,8,10H,3,5-7,9,15-16H2,1H3.
What are the key properties of 6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one?
6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one has a molecular weight of 247.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117040081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).