3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C27H34FN5O2 — CID 140759264

IUPAC3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCO[C@H]1CC[C@H](N2CN(C)c3cnc4cc(F)c(-c5ccc(OCCCN(C)C)nc5)cc4c32)C1
InChIInChI=1S/C27H34FN5O2/c1-31(2)10-5-11-35-26-9-6-18(15-30-26)21-13-22-24(14-23(21)28)29-16-25-27(22)33(17-32(25)3)19-7-8-20(12-19)34-4/h6,9,13-16,19-20H,5,7-8,10-12,17H2,1-4H3/t19-,20-/m0/s1
InChIKeyPOQKXTJJBLVIJS-PMACEKPBSA-N
MW479.60 g/mol
LogP4.55
Rot. Bonds8

About 3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 140759264) has the molecular formula C27H34FN5O2 and a molecular weight of 479.60 g/mol. Its IUPAC name is 3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID140759264
Molecular FormulaC27H34FN5O2
Molecular Weight479.60 g/mol
Exact Mass479.27
IUPAC Name3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCO[C@H]1CC[C@H](N2CN(C)c3cnc4cc(F)c(-c5ccc(OCCCN(C)C)nc5)cc4c32)C1
InChIInChI=1S/C27H34FN5O2/c1-31(2)10-5-11-35-26-9-6-18(15-30-26)21-13-22-24(14-23(21)28)29-16-25-27(22)33(17-32(25)3)19-7-8-20(12-19)34-4/h6,9,13-16,19-20H,5,7-8,10-12,17H2,1-4H3/t19-,20-/m0/s1
InChIKeyPOQKXTJJBLVIJS-PMACEKPBSA-N
XLogP4.55
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 140759264) is 3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is CO[C@H]1CC[C@H](N2CN(C)c3cnc4cc(F)c(-c5ccc(OCCCN(C)C)nc5)cc4c32)C1.
What is the InChIKey of 3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is POQKXTJJBLVIJS-PMACEKPBSA-N. The full InChI is InChI=1S/C27H34FN5O2/c1-31(2)10-5-11-35-26-9-6-18(15-30-26)21-13-22-24(14-23(21)28)29-16-25-27(22)33(17-32(25)3)19-7-8-20(12-19)34-4/h6,9,13-16,19-20H,5,7-8,10-12,17H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of 3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 479.60 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 140759264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).