4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine

C18H25N5O — CID 91258990

IUPAC4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine
SMILESCONCCCCn1cnc2c(C(C)CN)nc3ccccc3c21
InChIInChI=1S/C18H25N5O/c1-13(11-19)16-17-18(14-7-3-4-8-15(14)22-16)23(12-20-17)10-6-5-9-21-24-2/h3-4,7-8,12-13,21H,5-6,9-11,19H2,1-2H3
InChIKeyWRVCXLVFYQSCPA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.58
Rot. Bonds8

About 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine

4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine (PubChem CID 91258990) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine.

Molecular Properties

Compound Name4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine
PubChem CID91258990
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine
SMILESCONCCCCn1cnc2c(C(C)CN)nc3ccccc3c21
InChIInChI=1S/C18H25N5O/c1-13(11-19)16-17-18(14-7-3-4-8-15(14)22-16)23(12-20-17)10-6-5-9-21-24-2/h3-4,7-8,12-13,21H,5-6,9-11,19H2,1-2H3
InChIKeyWRVCXLVFYQSCPA-UHFFFAOYSA-N
XLogP2.58
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine?
The IUPAC name of 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine (CID 91258990) is 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine.
What is the SMILES notation for 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine?
The canonical SMILES for 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine is CONCCCCn1cnc2c(C(C)CN)nc3ccccc3c21.
What is the InChIKey of 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine?
The InChIKey is WRVCXLVFYQSCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(11-19)16-17-18(14-7-3-4-8-15(14)22-16)23(12-20-17)10-6-5-9-21-24-2/h3-4,7-8,12-13,21H,5-6,9-11,19H2,1-2H3.
What are the key properties of 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine?
4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine has a molecular weight of 327.43 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine is sourced from PubChem (CID 91258990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).