6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one

C14H21N3O — CID 43383607

IUPAC6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CN(C)c1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C14H21N3O/c1-9(2)8-17(3)13-7-12-10(6-11(13)15)4-5-14(18)16-12/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyANIWTEWVHBKJRY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.25
Rot. Bonds3

About 6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one

6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43383607) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43383607
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CN(C)c1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C14H21N3O/c1-9(2)8-17(3)13-7-12-10(6-11(13)15)4-5-14(18)16-12/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyANIWTEWVHBKJRY-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455612
6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455478
5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43587844
6-amino-7-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 63014635
5-amino-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43383177
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one
CID 63694273
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
CID 81059680
7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61469174
6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455627

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 43383607) is 6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one is CC(C)CN(C)c1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ANIWTEWVHBKJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(2)8-17(3)13-7-12-10(6-11(13)15)4-5-14(18)16-12/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18).
What are the key properties of 6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43383607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).