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

C15H23N3O3 — CID 43587943

IUPAC7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCN(CCOC)c1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C15H23N3O3/c1-20-7-5-18(6-8-21-2)14-9-11-3-4-15(19)17-13(11)10-12(14)16/h9-10H,3-8,16H2,1-2H3,(H,17,19)
InChIKeyUCPPXOPVOXDLLQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.25
Rot. Bonds7

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

7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43587943) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43587943
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCN(CCOC)c1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C15H23N3O3/c1-20-7-5-18(6-8-21-2)14-9-11-3-4-15(19)17-13(11)10-12(14)16/h9-10H,3-8,16H2,1-2H3,(H,17,19)
InChIKeyUCPPXOPVOXDLLQ-UHFFFAOYSA-N
XLogP1.25
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43449753
6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455478
6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455612
6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103401017
7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115985270
7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43449739
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 61423702
7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43382899
4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 83000799
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449981

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 43587943) is 7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one is COCCN(CCOC)c1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UCPPXOPVOXDLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-7-5-18(6-8-21-2)14-9-11-3-4-15(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-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 293.37 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43587943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).