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

C15H23N3O — CID 43449753

IUPAC7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCN(CC)c1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C15H23N3O/c1-3-5-8-18(4-2)14-9-11-6-7-15(19)17-13(11)10-12(14)16/h9-10H,3-8,16H2,1-2H3,(H,17,19)
InChIKeyJSSQUZMKABVVCB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds5

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

7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43449753) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43449753
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCN(CC)c1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C15H23N3O/c1-3-5-8-18(4-2)14-9-11-6-7-15(19)17-13(11)10-12(14)16/h9-10H,3-8,16H2,1-2H3,(H,17,19)
InChIKeyJSSQUZMKABVVCB-UHFFFAOYSA-N
XLogP2.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455478
7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43587943
5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 43451835
6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 61423702
7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115985270
6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455612
6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
CID 43455700
7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43449739
6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione
CID 118950494
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
5-amino-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43383177
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 43449753) is 7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one is CCCCN(CC)c1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JSSQUZMKABVVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-5-8-18(4-2)14-9-11-6-7-15(19)17-13(11)10-12(14)16/h9-10H,3-8,16H2,1-2H3,(H,17,19).
What are the key properties of 7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43449753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).