N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide

C18H23N5O3 — CID 170083568

IUPACN-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide
SMILESCCOCc1nc2c([nH]1)c(N)nc1cccc(OCCCNC(C)=O)c12
InChIInChI=1S/C18H23N5O3/c1-3-25-10-14-22-16-15-12(21-18(19)17(16)23-14)6-4-7-13(15)26-9-5-8-20-11(2)24/h4,6-7H,3,5,8-10H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23)
InChIKeyKHBNAKIPFZBERC-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.13
Rot. Bonds8

About N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide

N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide (PubChem CID 170083568) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide
PubChem CID170083568
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide
SMILESCCOCc1nc2c([nH]1)c(N)nc1cccc(OCCCNC(C)=O)c12
InChIInChI=1S/C18H23N5O3/c1-3-25-10-14-22-16-15-12(21-18(19)17(16)23-14)6-4-7-13(15)26-9-5-8-20-11(2)24/h4,6-7H,3,5,8-10H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23)
InChIKeyKHBNAKIPFZBERC-UHFFFAOYSA-N
XLogP2.13
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea
CID 91034544
4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-ol
CID 68901635
N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide
CID 90924603
4-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol;1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-9-methoxy-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;2-(ethoxymethyl)-9-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-9-(3-methylbutoxy)-3H-imidazo[4,5-c]quinolin-4-amine
CID 158581645
2-(ethoxymethyl)-1H-benzimidazol-4-amine
CID 63691528
ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate
CID 175053743
N-[4-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]butyl]acetamide
CID 163959296
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea
CID 60580427
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide?
The IUPAC name of N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide (CID 170083568) is N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide.
What is the SMILES notation for N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide?
The canonical SMILES for N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide is CCOCc1nc2c([nH]1)c(N)nc1cccc(OCCCNC(C)=O)c12.
What is the InChIKey of N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide?
The InChIKey is KHBNAKIPFZBERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-25-10-14-22-16-15-12(21-18(19)17(16)23-14)6-4-7-13(15)26-9-5-8-20-11(2)24/h4,6-7H,3,5,8-10H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23).
What are the key properties of N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide?
N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide is sourced from PubChem (CID 170083568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).