N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide

C25H25N5O2 — CID 152913415

IUPACN-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide
SMILESC#CC(=O)NCc1cc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)ccc1O
InChIInChI=1S/C25H25N5O2/c1-3-5-10-21-29-23-24(18-8-6-7-9-19(18)28-25(23)26)30(21)15-16-11-12-20(31)17(13-16)14-27-22(32)4-2/h2,6-9,11-13,31H,3,5,10,14-15H2,1H3,(H2,26,28)(H,27,32)
InChIKeyUHQLPZVJDINEEP-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.51
Rot. Bonds7

About N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide

N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide (PubChem CID 152913415) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide
PubChem CID152913415
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide
SMILESC#CC(=O)NCc1cc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)ccc1O
InChIInChI=1S/C25H25N5O2/c1-3-5-10-21-29-23-24(18-8-6-7-9-19(18)28-25(23)26)30(21)15-16-11-12-20(31)17(13-16)14-27-22(32)4-2/h2,6-9,11-13,31H,3,5,10,14-15H2,1H3,(H2,26,28)(H,27,32)
InChIKeyUHQLPZVJDINEEP-UHFFFAOYSA-N
XLogP3.51
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide with MolForge

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Related Compounds

N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane
CID 153388831
[3-[[4-amino-2-butyl-8-[(prop-2-ynoylamino)methyl]imidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate
CID 158236441
4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one
CID 158055090
(2,5-dioxopyrrolidin-1-yl) 5-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methylamino]-5-oxopentanoate
CID 147696043
2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol
CID 153143132
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
3-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-(propanoylamino)propanamide
CID 172627056
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-(2-oxohex-5-ynylsulfanyl)butylsulfanyl]acetamide
CID 157112375
[4-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]boronic acid
CID 71009411
N,N'-bis[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-3-hexylhexanediamide
CID 134506273

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide?
The IUPAC name of N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide (CID 152913415) is N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide.
What is the SMILES notation for N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide?
The canonical SMILES for N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide is C#CC(=O)NCc1cc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)ccc1O.
What is the InChIKey of N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide?
The InChIKey is UHQLPZVJDINEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-3-5-10-21-29-23-24(18-8-6-7-9-19(18)28-25(23)26)30(21)15-16-11-12-20(31)17(13-16)14-27-22(32)4-2/h2,6-9,11-13,31H,3,5,10,14-15H2,1H3,(H2,26,28)(H,27,32).
What are the key properties of N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide?
N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide has a molecular weight of 427.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide is sourced from PubChem (CID 152913415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).