N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide

C28H34N6O2 — CID 91410377

IUPACN-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide
SMILESCCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCCNC(=O)C1CCCC1
InChIInChI=1S/C28H34N6O2/c1-2-36-18-24-33-25-26(34(24)15-6-5-14-31-28(35)19-8-3-4-9-19)22-12-11-20(16-23(22)32-27(25)29)21-10-7-13-30-17-21/h7,10-13,16-17,19H,2-6,8-9,14-15,18H2,1H3,(H2,29,32)(H,31,35)
InChIKeyGVUAIWVCROEQBM-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.85
Rot. Bonds10

About N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide

N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide (PubChem CID 91410377) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide
PubChem CID91410377
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC NameN-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide
SMILESCCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCCNC(=O)C1CCCC1
InChIInChI=1S/C28H34N6O2/c1-2-36-18-24-33-25-26(34(24)15-6-5-14-31-28(35)19-8-3-4-9-19)22-12-11-20(16-23(22)32-27(25)29)21-10-7-13-30-17-21/h7,10-13,16-17,19H,2-6,8-9,14-15,18H2,1H3,(H2,29,32)(H,31,35)
InChIKeyGVUAIWVCROEQBM-UHFFFAOYSA-N
XLogP4.85
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.85
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-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide (CID 91410377) is N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide is CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCCNC(=O)C1CCCC1.
What is the InChIKey of N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide?
The InChIKey is GVUAIWVCROEQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-2-36-18-24-33-25-26(34(24)15-6-5-14-31-28(35)19-8-3-4-9-19)22-12-11-20(16-23(22)32-27(25)29)21-10-7-13-30-17-21/h7,10-13,16-17,19H,2-6,8-9,14-15,18H2,1H3,(H2,29,32)(H,31,35).
What are the key properties of N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide?
N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.85, 10 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-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide is sourced from PubChem (CID 91410377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).