1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one

C14H21N3O — CID 115135758

IUPAC1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one
SMILESCNc1ccc2c(c1)CCC(=O)N2CC(C)(C)N
InChIInChI=1S/C14H21N3O/c1-14(2,15)9-17-12-6-5-11(16-3)8-10(12)4-7-13(17)18/h5-6,8,16H,4,7,9,15H2,1-3H3
InChIKeyTVWVRDWOAOQIOP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.74
Rot. Bonds3

About 1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one

1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one (PubChem CID 115135758) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one
PubChem CID115135758
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one
SMILESCNc1ccc2c(c1)CCC(=O)N2CC(C)(C)N
InChIInChI=1S/C14H21N3O/c1-14(2,15)9-17-12-6-5-11(16-3)8-10(12)4-7-13(17)18/h5-6,8,16H,4,7,9,15H2,1-3H3
InChIKeyTVWVRDWOAOQIOP-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 115224728
6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
CID 115235513
4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile
CID 117038333
6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one
CID 115222243
1-(aminomethyl)-5-(methylamino)-3H-indol-2-one
CID 115225548
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115131631
1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115136265
methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190471
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
6-(methylamino)-1-[3-(methylamino)propanoyl]-3,4-dihydroquinolin-2-one
CID 115153207
3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one (CID 115135758) is 1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one is CNc1ccc2c(c1)CCC(=O)N2CC(C)(C)N.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one?
The InChIKey is TVWVRDWOAOQIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,15)9-17-12-6-5-11(16-3)8-10(12)4-7-13(17)18/h5-6,8,16H,4,7,9,15H2,1-3H3.
What are the key properties of 1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one?
1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115135758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).