N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide

C21H25N7O2 — CID 135307726

IUPACN-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide
SMILESCCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)CC(C)(C)O
InChIInChI=1S/C21H25N7O2/c1-4-28(17(29)10-21(2,3)30)11-16-25-18-13-6-5-12(14-7-8-23-27-14)9-15(13)24-20(22)19(18)26-16/h5-9,30H,4,10-11H2,1-3H3,(H2,22,24)(H,23,27)(H,25,26)
InChIKeyRQBGAKPSPNRXME-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.59
Rot. Bonds6

About N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide

N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide (PubChem CID 135307726) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide
PubChem CID135307726
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide
SMILESCCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)CC(C)(C)O
InChIInChI=1S/C21H25N7O2/c1-4-28(17(29)10-21(2,3)30)11-16-25-18-13-6-5-12(14-7-8-23-27-14)9-15(13)24-20(22)19(18)26-16/h5-9,30H,4,10-11H2,1-3H3,(H2,22,24)(H,23,27)(H,25,26)
InChIKeyRQBGAKPSPNRXME-UHFFFAOYSA-N
XLogP2.59
TPSA136.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide with MolForge

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Related Compounds

tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 162153556
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea
CID 161173481
2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride
CID 156756381
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide
CID 155420715
3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584377
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylpropanamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]propanamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 167709960
N-[[4-amino-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-2-methylpropanamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-methylpropanamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 167655297
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide
CID 160887077
N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 160729058
1-[(2S)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 169316681
N-[(4-amino-7-cyclopentyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-phenyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,3-thiazole-2-carboxamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]propanamide
CID 167577880
N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 159250037

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide (CID 135307726) is N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide is CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)CC(C)(C)O.
What is the InChIKey of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide?
The InChIKey is RQBGAKPSPNRXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-4-28(17(29)10-21(2,3)30)11-16-25-18-13-6-5-12(14-7-8-23-27-14)9-15(13)24-20(22)19(18)26-16/h5-9,30H,4,10-11H2,1-3H3,(H2,22,24)(H,23,27)(H,25,26).
What are the key properties of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide?
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide has a molecular weight of 407.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 135307726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).