1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C29H37N5O2 — CID 175941305

IUPAC1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCOCc1nc2c(N)nc3cc(Cc4cccc(C5CCNCC5)c4)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C29H37N5O2/c1-4-36-17-25-33-26-27(34(25)18-29(2,3)35)23-9-8-20(16-24(23)32-28(26)30)14-19-6-5-7-22(15-19)21-10-12-31-13-11-21/h5-9,15-16,21,31,35H,4,10-14,17-18H2,1-3H3,(H2,30,32)
InChIKeySNOJXXKCRKNDOJ-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.53
Rot. Bonds8

About 1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 175941305) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
PubChem CID175941305
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCOCc1nc2c(N)nc3cc(Cc4cccc(C5CCNCC5)c4)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C29H37N5O2/c1-4-36-17-25-33-26-27(34(25)18-29(2,3)35)23-9-8-20(16-24(23)32-28(26)30)14-19-6-5-7-22(15-19)21-10-12-31-13-11-21/h5-9,15-16,21,31,35H,4,10-14,17-18H2,1-3H3,(H2,30,32)
InChIKeySNOJXXKCRKNDOJ-UHFFFAOYSA-N
XLogP4.53
TPSA98.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 175941305) is 1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CCOCc1nc2c(N)nc3cc(Cc4cccc(C5CCNCC5)c4)ccc3c2n1CC(C)(C)O.
What is the InChIKey of 1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The InChIKey is SNOJXXKCRKNDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-4-36-17-25-33-26-27(34(25)18-29(2,3)35)23-9-8-20(16-24(23)32-28(26)30)14-19-6-5-7-22(15-19)21-10-12-31-13-11-21/h5-9,15-16,21,31,35H,4,10-14,17-18H2,1-3H3,(H2,30,32).
What are the key properties of 1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 487.65 g/mol, XLogP of 4.53, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 175941305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).