8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline

C21H23F2N3O2 — CID 142423676

IUPAC8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline
SMILESC[C@@H]1C[C@H](n2c([C@H]3CCCO3)nc3cnc4ccc(C(F)F)cc4c32)CCO1
InChIInChI=1S/C21H23F2N3O2/c1-12-9-14(6-8-27-12)26-19-15-10-13(20(22)23)4-5-16(15)24-11-17(19)25-21(26)18-3-2-7-28-18/h4-5,10-12,14,18,20H,2-3,6-9H2,1H3/t12-,14-,18-/m1/s1
InChIKeyNMEWUZJXVDHZPD-RVZJWNSFSA-N
MW387.43 g/mol
LogP5.11
Rot. Bonds3

About 8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline

8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline (PubChem CID 142423676) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline
PubChem CID142423676
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline
SMILESC[C@@H]1C[C@H](n2c([C@H]3CCCO3)nc3cnc4ccc(C(F)F)cc4c32)CCO1
InChIInChI=1S/C21H23F2N3O2/c1-12-9-14(6-8-27-12)26-19-15-10-13(20(22)23)4-5-16(15)24-11-17(19)25-21(26)18-3-2-7-28-18/h4-5,10-12,14,18,20H,2-3,6-9H2,1H3/t12-,14-,18-/m1/s1
InChIKeyNMEWUZJXVDHZPD-RVZJWNSFSA-N
XLogP5.11
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline (CID 142423676) is 8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline is C[C@@H]1C[C@H](n2c([C@H]3CCCO3)nc3cnc4ccc(C(F)F)cc4c32)CCO1.
What is the InChIKey of 8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline?
The InChIKey is NMEWUZJXVDHZPD-RVZJWNSFSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-12-9-14(6-8-27-12)26-19-15-10-13(20(22)23)4-5-16(15)24-11-17(19)25-21(26)18-3-2-7-28-18/h4-5,10-12,14,18,20H,2-3,6-9H2,1H3/t12-,14-,18-/m1/s1.
What are the key properties of 8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline?
8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline has a molecular weight of 387.43 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2R)-oxolan-2-yl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 142423676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).