3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide

C30H37N5O2 — CID 90970027

IUPAC3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide
SMILESCCOCc1nc2c(N)nc3cc(-c4ccccc4)ccc3c2n1C(C1CCCCC1)C(C)(C)C(N)=O
InChIInChI=1S/C30H37N5O2/c1-4-37-18-24-34-25-26(35(24)27(30(2,3)29(32)36)20-13-9-6-10-14-20)22-16-15-21(17-23(22)33-28(25)31)19-11-7-5-8-12-19/h5,7-8,11-12,15-17,20,27H,4,6,9-10,13-14,18H2,1-3H3,(H2,31,33)(H2,32,36)
InChIKeyZKNFYEDMGGBFRC-UHFFFAOYSA-N
MW499.66 g/mol
LogP6.00
Rot. Bonds8

About 3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide

3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide (PubChem CID 90970027) has the molecular formula C30H37N5O2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide
PubChem CID90970027
Molecular FormulaC30H37N5O2
Molecular Weight499.66 g/mol
Exact Mass499.29
IUPAC Name3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide
SMILESCCOCc1nc2c(N)nc3cc(-c4ccccc4)ccc3c2n1C(C1CCCCC1)C(C)(C)C(N)=O
InChIInChI=1S/C30H37N5O2/c1-4-37-18-24-34-25-26(35(24)27(30(2,3)29(32)36)20-13-9-6-10-14-20)22-16-15-21(17-23(22)33-28(25)31)19-11-7-5-8-12-19/h5,7-8,11-12,15-17,20,27H,4,6,9-10,13-14,18H2,1-3H3,(H2,31,33)(H2,32,36)
InChIKeyZKNFYEDMGGBFRC-UHFFFAOYSA-N
XLogP6.00
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide?
The IUPAC name of 3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide (CID 90970027) is 3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide?
The canonical SMILES for 3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide is CCOCc1nc2c(N)nc3cc(-c4ccccc4)ccc3c2n1C(C1CCCCC1)C(C)(C)C(N)=O.
What is the InChIKey of 3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide?
The InChIKey is ZKNFYEDMGGBFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O2/c1-4-37-18-24-34-25-26(35(24)27(30(2,3)29(32)36)20-13-9-6-10-14-20)22-16-15-21(17-23(22)33-28(25)31)19-11-7-5-8-12-19/h5,7-8,11-12,15-17,20,27H,4,6,9-10,13-14,18H2,1-3H3,(H2,31,33)(H2,32,36).
What are the key properties of 3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide?
3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide has a molecular weight of 499.66 g/mol, XLogP of 6.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(ethoxymethyl)-7-phenylimidazo[4,5-c]quinolin-1-yl]-3-cyclohexyl-2,2-dimethylpropanamide is sourced from PubChem (CID 90970027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).