2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol

C23H23ClN4O — CID 135531253

IUPAC2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol
SMILESOc1ccccc1-c1nc2cnc3cc(Cl)ccc3c2n1CCC1CCNCC1
InChIInChI=1S/C23H23ClN4O/c24-16-5-6-17-19(13-16)26-14-20-22(17)28(12-9-15-7-10-25-11-8-15)23(27-20)18-3-1-2-4-21(18)29/h1-6,13-15,25,29H,7-12H2
InChIKeyVXFYJBUINZWGRQ-UHFFFAOYSA-N
MW406.92 g/mol
LogP5.00
Rot. Bonds4

About 2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol

2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol (PubChem CID 135531253) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is 2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol.

Molecular Properties

Compound Name2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol
PubChem CID135531253
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol
SMILESOc1ccccc1-c1nc2cnc3cc(Cl)ccc3c2n1CCC1CCNCC1
InChIInChI=1S/C23H23ClN4O/c24-16-5-6-17-19(13-16)26-14-20-22(17)28(12-9-15-7-10-25-11-8-15)23(27-20)18-3-1-2-4-21(18)29/h1-6,13-15,25,29H,7-12H2
InChIKeyVXFYJBUINZWGRQ-UHFFFAOYSA-N
XLogP5.00
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.92
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol?
The IUPAC name of 2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol (CID 135531253) is 2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol.
What is the SMILES notation for 2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol?
The canonical SMILES for 2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol is Oc1ccccc1-c1nc2cnc3cc(Cl)ccc3c2n1CCC1CCNCC1.
What is the InChIKey of 2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol?
The InChIKey is VXFYJBUINZWGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O/c24-16-5-6-17-19(13-16)26-14-20-22(17)28(12-9-15-7-10-25-11-8-15)23(27-20)18-3-1-2-4-21(18)29/h1-6,13-15,25,29H,7-12H2.
What are the key properties of 2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol?
2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol has a molecular weight of 406.92 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol is sourced from PubChem (CID 135531253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).