(R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C24H22ClF3N4O4 — CID 138805752

IUPAC(R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOCCOc1c(OC)nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl
InChIInChI=1S/C24H22ClF3N4O4/c1-32-13-29-12-19(32)23(33,15-5-7-18(30-11-15)24(26,27)28)14-4-6-17-16(10-14)20(25)21(22(31-17)35-3)36-9-8-34-2/h4-7,10-13,33H,8-9H2,1-3H3/t23-/m1/s1
InChIKeyGCXZWCCVUFCYKJ-HSZRJFAPSA-N
MW522.91 g/mol
LogP4.35
Rot. Bonds8

About (R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

(R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 138805752) has the molecular formula C24H22ClF3N4O4 and a molecular weight of 522.91 g/mol. Its IUPAC name is (R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID138805752
Molecular FormulaC24H22ClF3N4O4
Molecular Weight522.91 g/mol
Exact Mass522.13
IUPAC Name(R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOCCOc1c(OC)nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl
InChIInChI=1S/C24H22ClF3N4O4/c1-32-13-29-12-19(32)23(33,15-5-7-18(30-11-15)24(26,27)28)14-4-6-17-16(10-14)20(25)21(22(31-17)35-3)36-9-8-34-2/h4-7,10-13,33H,8-9H2,1-3H3/t23-/m1/s1
InChIKeyGCXZWCCVUFCYKJ-HSZRJFAPSA-N
XLogP4.35
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 138805752) is (R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is COCCOc1c(OC)nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.
What is the InChIKey of (R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is GCXZWCCVUFCYKJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22ClF3N4O4/c1-32-13-29-12-19(32)23(33,15-5-7-18(30-11-15)24(26,27)28)14-4-6-17-16(10-14)20(25)21(22(31-17)35-3)36-9-8-34-2/h4-7,10-13,33H,8-9H2,1-3H3/t23-/m1/s1.
What are the key properties of (R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
(R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 522.91 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 138805752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).