1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine

C21H33N5O2 — CID 143008363

IUPAC1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3c(c2n1CCCCONCC1CC1)CCCC3
InChIInChI=1S/C21H33N5O2/c1-2-27-14-18-25-19-20(16-7-3-4-8-17(16)24-21(19)22)26(18)11-5-6-12-28-23-13-15-9-10-15/h15,23H,2-14H2,1H3,(H2,22,24)
InChIKeyMKRGDHKVGPETBL-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.14
Rot. Bonds11

About 1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine

1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine (PubChem CID 143008363) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine
PubChem CID143008363
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3c(c2n1CCCCONCC1CC1)CCCC3
InChIInChI=1S/C21H33N5O2/c1-2-27-14-18-25-19-20(16-7-3-4-8-17(16)24-21(19)22)26(18)11-5-6-12-28-23-13-15-9-10-15/h15,23H,2-14H2,1H3,(H2,22,24)
InChIKeyMKRGDHKVGPETBL-UHFFFAOYSA-N
XLogP3.14
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine (CID 143008363) is 1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3c(c2n1CCCCONCC1CC1)CCCC3.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
The InChIKey is MKRGDHKVGPETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-2-27-14-18-25-19-20(16-7-3-4-8-17(16)24-21(19)22)26(18)11-5-6-12-28-23-13-15-9-10-15/h15,23H,2-14H2,1H3,(H2,22,24).
What are the key properties of 1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine has a molecular weight of 387.53 g/mol, XLogP of 3.14, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 143008363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).