[2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C24H19Cl2F3N4O2 — CID 118025709

IUPAC[2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(OCC3CC3)c(Cl)c2c1
InChIInChI=1S/C24H19Cl2F3N4O2/c1-33-12-30-10-19(33)23(34,15-5-7-18(31-9-15)24(27,28)29)14-4-6-17-16(8-14)20(25)21(22(26)32-17)35-11-13-2-3-13/h4-10,12-13,34H,2-3,11H2,1H3
InChIKeyPFLSARZJZFLEIC-UHFFFAOYSA-N
MW523.34 g/mol
LogP5.76
Rot. Bonds6

About [2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

[2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118025709) has the molecular formula C24H19Cl2F3N4O2 and a molecular weight of 523.34 g/mol. Its IUPAC name is [2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118025709
Molecular FormulaC24H19Cl2F3N4O2
Molecular Weight523.34 g/mol
Exact Mass522.08
IUPAC Name[2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(OCC3CC3)c(Cl)c2c1
InChIInChI=1S/C24H19Cl2F3N4O2/c1-33-12-30-10-19(33)23(34,15-5-7-18(31-9-15)24(27,28)29)14-4-6-17-16(8-14)20(25)21(22(26)32-17)35-11-13-2-3-13/h4-10,12-13,34H,2-3,11H2,1H3
InChIKeyPFLSARZJZFLEIC-UHFFFAOYSA-N
XLogP5.76
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.34
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 118025709) is [2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(OCC3CC3)c(Cl)c2c1.
What is the InChIKey of [2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is PFLSARZJZFLEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F3N4O2/c1-33-12-30-10-19(33)23(34,15-5-7-18(31-9-15)24(27,28)29)14-4-6-17-16(8-14)20(25)21(22(26)32-17)35-11-13-2-3-13/h4-10,12-13,34H,2-3,11H2,1H3.
What are the key properties of [2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
[2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 523.34 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118025709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).