1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid

C27H22F3N5O3 — CID 18760190

IUPAC1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(Cn1cnc2c(N)nc3ccccc3c21)Oc1ccc2[nH]c3ccccc3c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H21N5O.C2HF3O2/c1-15(31-16-10-11-22-19(12-16)17-6-2-4-8-20(17)28-22)13-30-14-27-23-24(30)18-7-3-5-9-21(18)29-25(23)26;3-2(4,5)1(6)7/h2-12,14-15,28H,13H2,1H3,(H2,26,29);(H,6,7)
InChIKeyWCYBBKYBFRXCJB-UHFFFAOYSA-N
MW521.50 g/mol
LogP5.90
Rot. Bonds4

About 1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid

1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 18760190) has the molecular formula C27H22F3N5O3 and a molecular weight of 521.50 g/mol. Its IUPAC name is 1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID18760190
Molecular FormulaC27H22F3N5O3
Molecular Weight521.50 g/mol
Exact Mass521.17
IUPAC Name1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(Cn1cnc2c(N)nc3ccccc3c21)Oc1ccc2[nH]c3ccccc3c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H21N5O.C2HF3O2/c1-15(31-16-10-11-22-19(12-16)17-6-2-4-8-20(17)28-22)13-30-14-27-23-24(30)18-7-3-5-9-21(18)29-25(23)26;3-2(4,5)1(6)7/h2-12,14-15,28H,13H2,1H3,(H2,26,29);(H,6,7)
InChIKeyWCYBBKYBFRXCJB-UHFFFAOYSA-N
XLogP5.90
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.50
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid (CID 18760190) is 1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid is CC(Cn1cnc2c(N)nc3ccccc3c21)Oc1ccc2[nH]c3ccccc3c2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is WCYBBKYBFRXCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O.C2HF3O2/c1-15(31-16-10-11-22-19(12-16)17-6-2-4-8-20(17)28-22)13-30-14-27-23-24(30)18-7-3-5-9-21(18)29-25(23)26;3-2(4,5)1(6)7/h2-12,14-15,28H,13H2,1H3,(H2,26,29);(H,6,7).
What are the key properties of 1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 521.50 g/mol, XLogP of 5.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9H-carbazol-3-yloxy)propyl]imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 18760190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).