N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide

C25H37N5O3 — CID 143283933

IUPACN-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide
SMILESCCOCc1nc2c(N)nc3cc(NC(=O)C(C)C)ccc3c2n1CCCCCOC(C)C
InChIInChI=1S/C25H37N5O3/c1-6-32-15-21-29-22-23(30(21)12-8-7-9-13-33-17(4)5)19-11-10-18(27-25(31)16(2)3)14-20(19)28-24(22)26/h10-11,14,16-17H,6-9,12-13,15H2,1-5H3,(H2,26,28)(H,27,31)
InChIKeyVYKBZMVAHYVUTG-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.89
Rot. Bonds12

About N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide

N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide (PubChem CID 143283933) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide
PubChem CID143283933
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC NameN-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide
SMILESCCOCc1nc2c(N)nc3cc(NC(=O)C(C)C)ccc3c2n1CCCCCOC(C)C
InChIInChI=1S/C25H37N5O3/c1-6-32-15-21-29-22-23(30(21)12-8-7-9-13-33-17(4)5)19-11-10-18(27-25(31)16(2)3)14-20(19)28-24(22)26/h10-11,14,16-17H,6-9,12-13,15H2,1-5H3,(H2,26,28)(H,27,31)
InChIKeyVYKBZMVAHYVUTG-UHFFFAOYSA-N
XLogP4.89
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.89
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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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide?
The IUPAC name of N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide (CID 143283933) is N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide is CCOCc1nc2c(N)nc3cc(NC(=O)C(C)C)ccc3c2n1CCCCCOC(C)C.
What is the InChIKey of N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide?
The InChIKey is VYKBZMVAHYVUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-6-32-15-21-29-22-23(30(21)12-8-7-9-13-33-17(4)5)19-11-10-18(27-25(31)16(2)3)14-20(19)28-24(22)26/h10-11,14,16-17H,6-9,12-13,15H2,1-5H3,(H2,26,28)(H,27,31).
What are the key properties of N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide?
N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide has a molecular weight of 455.60 g/mol, XLogP of 4.89, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide is sourced from PubChem (CID 143283933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).