2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine

C24H27N5O2 — CID 59007299

IUPAC2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC1CC(c2ccccc2)N(C)O1
InChIInChI=1S/C24H27N5O2/c1-3-30-15-21-27-22-23(18-11-7-8-12-19(18)26-24(22)25)29(21)14-17-13-20(28(2)31-17)16-9-5-4-6-10-16/h4-12,17,20H,3,13-15H2,1-2H3,(H2,25,26)
InChIKeyPJOSTIDJKLAACC-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.08
Rot. Bonds6

About 2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine

2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 59007299) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID59007299
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC1CC(c2ccccc2)N(C)O1
InChIInChI=1S/C24H27N5O2/c1-3-30-15-21-27-22-23(18-11-7-8-12-19(18)26-24(22)25)29(21)14-17-13-20(28(2)31-17)16-9-5-4-6-10-16/h4-12,17,20H,3,13-15H2,1-2H3,(H2,25,26)
InChIKeyPJOSTIDJKLAACC-UHFFFAOYSA-N
XLogP4.08
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
O-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]hydroxylamine
CID 162361120
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
1-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexan-1-ol
CID 11646081
1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 67519559
2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine
CID 58869093
(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
CID 58869097
1-[3-(dimethylaminosulfanyl)-2,2-dimethylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 143077937
2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine
CID 58835308

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine (CID 59007299) is 2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3ccccc3c2n1CC1CC(c2ccccc2)N(C)O1.
What is the InChIKey of 2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is PJOSTIDJKLAACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-3-30-15-21-27-22-23(18-11-7-8-12-19(18)26-24(22)25)29(21)14-17-13-20(28(2)31-17)16-9-5-4-6-10-16/h4-12,17,20H,3,13-15H2,1-2H3,(H2,25,26).
What are the key properties of 2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine?
2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 417.51 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 59007299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).