1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine

C17H24N6O — CID 143051873

IUPAC1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine
SMILESCC(C)NOCc1nc2c(N)nc3ccccc3c2n1CCCN
InChIInChI=1S/C17H24N6O/c1-11(2)22-24-10-14-21-15-16(23(14)9-5-8-18)12-6-3-4-7-13(12)20-17(15)19/h3-4,6-7,11,22H,5,8-10,18H2,1-2H3,(H2,19,20)
InChIKeyCRFMKSLCXWINTB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.95
Rot. Bonds7

About 1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine

1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 143051873) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID143051873
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine
SMILESCC(C)NOCc1nc2c(N)nc3ccccc3c2n1CCCN
InChIInChI=1S/C17H24N6O/c1-11(2)22-24-10-14-21-15-16(23(14)9-5-8-18)12-6-3-4-7-13(12)20-17(15)19/h3-4,6-7,11,22H,5,8-10,18H2,1-2H3,(H2,19,20)
InChIKeyCRFMKSLCXWINTB-UHFFFAOYSA-N
XLogP1.95
TPSA104.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745
1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 67519559
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
2-(methoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 59795786
1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea
CID 69322503
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
ethane;2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143284639
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 143284618

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine (CID 143051873) is 1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine is CC(C)NOCc1nc2c(N)nc3ccccc3c2n1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is CRFMKSLCXWINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11(2)22-24-10-14-21-15-16(23(14)9-5-8-18)12-6-3-4-7-13(12)20-17(15)19/h3-4,6-7,11,22H,5,8-10,18H2,1-2H3,(H2,19,20).
What are the key properties of 1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine?
1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 143051873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).