N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide

C21H23N7O — CID 154682733

IUPACN-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1cnccn1
InChIInChI=1S/C21H23N7O/c1-2-17-27-18-19(14-7-3-4-8-15(14)26-20(18)22)28(17)12-6-5-9-25-21(29)16-13-23-10-11-24-16/h3-4,7-8,10-11,13H,2,5-6,9,12H2,1H3,(H2,22,26)(H,25,29)
InChIKeyNHFXVFMRQZJJNW-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.73
Rot. Bonds7

About N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide

N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide (PubChem CID 154682733) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide
PubChem CID154682733
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1cnccn1
InChIInChI=1S/C21H23N7O/c1-2-17-27-18-19(14-7-3-4-8-15(14)26-20(18)22)28(17)12-6-5-9-25-21(29)16-13-23-10-11-24-16/h3-4,7-8,10-11,13H,2,5-6,9,12H2,1H3,(H2,22,26)(H,25,29)
InChIKeyNHFXVFMRQZJJNW-UHFFFAOYSA-N
XLogP2.73
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide
CID 162372952
4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one
CID 165031599
1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 154682639
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
ethane;2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143284639
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide
CID 162737247
N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide
CID 23512692
2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)acetamide
CID 11623154
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide
CID 135317306
1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10309036

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide (CID 154682733) is N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide is CCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1cnccn1.
What is the InChIKey of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide?
The InChIKey is NHFXVFMRQZJJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-2-17-27-18-19(14-7-3-4-8-15(14)26-20(18)22)28(17)12-6-5-9-25-21(29)16-13-23-10-11-24-16/h3-4,7-8,10-11,13H,2,5-6,9,12H2,1H3,(H2,22,26)(H,25,29).
What are the key properties of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide?
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide is sourced from PubChem (CID 154682733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).