1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C15H22N4O — CID 123357809

IUPAC1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESC/N=N/CCc1ccc2c(c1)C(NC)CCN2C(C)=O
InChIInChI=1S/C15H22N4O/c1-11(20)19-9-7-14(16-2)13-10-12(4-5-15(13)19)6-8-18-17-3/h4-5,10,14,16H,6-9H2,1-3H3/b18-17+
InChIKeyMPMLOMBGCTVLJA-ISLYRVAYSA-N
MW274.37 g/mol
LogP2.33
Rot. Bonds4

About 1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 123357809) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID123357809
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESC/N=N/CCc1ccc2c(c1)C(NC)CCN2C(C)=O
InChIInChI=1S/C15H22N4O/c1-11(20)19-9-7-14(16-2)13-10-12(4-5-15(13)19)6-8-18-17-3/h4-5,10,14,16H,6-9H2,1-3H3/b18-17+
InChIKeyMPMLOMBGCTVLJA-ISLYRVAYSA-N
XLogP2.33
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 142306913
(2S)-N-[(4R)-1-acetyl-6-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 122195960
2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82625253
1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 166139308
3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea
CID 166185788
[4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 79157886
tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 79122225
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
N-(1-acetyl-6-phenyl-3,4-dihydro-2H-quinolin-4-yl)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345126
N-(1-acetyl-6-phenoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(2-amino-4-hydroxy-6-methylphenyl)propanamide
CID 142307123
2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol
CID 140546210
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 123357809) is 1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is C/N=N/CCc1ccc2c(c1)C(NC)CCN2C(C)=O.
What is the InChIKey of 1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is MPMLOMBGCTVLJA-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(20)19-9-7-14(16-2)13-10-12(4-5-15(13)19)6-8-18-17-3/h4-5,10,14,16H,6-9H2,1-3H3/b18-17+.
What are the key properties of 1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 274.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-6-[2-(methyldiazenyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 123357809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).