7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine

C24H36N4 — CID 158027544

IUPAC7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESCCNCc1cc2c(N)nc3cc(CCCCCCC(C)(C)C)ccc3c2[nH]1
InChIInChI=1S/C24H36N4/c1-5-26-16-18-15-20-22(27-18)19-12-11-17(14-21(19)28-23(20)25)10-8-6-7-9-13-24(2,3)4/h11-12,14-15,26-27H,5-10,13,16H2,1-4H3,(H2,25,28)
InChIKeyFGTXWOTUCPNRDO-UHFFFAOYSA-N
MW380.58 g/mol
LogP5.95
Rot. Bonds9

About 7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine

7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine (PubChem CID 158027544) has the molecular formula C24H36N4 and a molecular weight of 380.58 g/mol. Its IUPAC name is 7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine.

Molecular Properties

Compound Name7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine
PubChem CID158027544
Molecular FormulaC24H36N4
Molecular Weight380.58 g/mol
Exact Mass380.29
IUPAC Name7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESCCNCc1cc2c(N)nc3cc(CCCCCCC(C)(C)C)ccc3c2[nH]1
InChIInChI=1S/C24H36N4/c1-5-26-16-18-15-20-22(27-18)19-12-11-17(14-21(19)28-23(20)25)10-8-6-7-9-13-24(2,3)4/h11-12,14-15,26-27H,5-10,13,16H2,1-4H3,(H2,25,28)
InChIKeyFGTXWOTUCPNRDO-UHFFFAOYSA-N
XLogP5.95
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(7,7-dimethyloctyl)-2-propylfuro[3,2-c]quinolin-4-amine
CID 159487559
7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+))
CID 158341760
1,4-bis(10,10-dimethylundecyl)benzene
CID 151982772
3-[5-(4-amino-2-butyl-2,3-dihydro-1H-imidazo[4,5-c]quinolin-7-yl)pentyl-methylamino]-2,2-dimethylpropane-1-thiol
CID 155696729
4-(10,10-dimethylundecyl)-1,2-dimethylbenzene
CID 150895968
N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine
CID 98783912
4-[3-[5-[2,4-diamino-3-(methylamino)quinolin-7-yl]pentyl-methylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide
CID 167058389
3-(2-tert-butyl-3H-benzimidazol-5-yl)propan-1-ol
CID 117336779
2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride
CID 156756381
4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol
CID 170105299
S-methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate
CID 164973843
potassium [1-[5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentylamino]-1-oxo-3-sulfanylpropan-2-yl]oxy-[3-(2,2-dimethyl-4-oxobutoxy)-2,2-dimethylpropyl]azanide
CID 155696785

Frequently Asked Questions

What is the IUPAC name of 7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The IUPAC name of 7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine (CID 158027544) is 7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine.
What is the SMILES notation for 7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The canonical SMILES for 7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine is CCNCc1cc2c(N)nc3cc(CCCCCCC(C)(C)C)ccc3c2[nH]1.
What is the InChIKey of 7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The InChIKey is FGTXWOTUCPNRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4/c1-5-26-16-18-15-20-22(27-18)19-12-11-17(14-21(19)28-23(20)25)10-8-6-7-9-13-24(2,3)4/h11-12,14-15,26-27H,5-10,13,16H2,1-4H3,(H2,25,28).
What are the key properties of 7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine has a molecular weight of 380.58 g/mol, XLogP of 5.95, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine is sourced from PubChem (CID 158027544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).