(4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

C25H23Cl3N4O2 — CID 118031352

IUPAC(4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(CN3CCOCC3)c(Cl)c2c1
InChIInChI=1S/C25H23Cl3N4O2/c1-31-15-29-13-22(31)25(33,16-2-5-18(26)6-3-16)17-4-7-21-19(12-17)23(27)20(24(28)30-21)14-32-8-10-34-11-9-32/h2-7,12-13,15,33H,8-11,14H2,1H3
InChIKeyYRKBJRITGFDVIS-UHFFFAOYSA-N
MW517.84 g/mol
LogP5.04
Rot. Bonds5

About (4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

(4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 118031352) has the molecular formula C25H23Cl3N4O2 and a molecular weight of 517.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
PubChem CID118031352
Molecular FormulaC25H23Cl3N4O2
Molecular Weight517.84 g/mol
Exact Mass516.09
IUPAC Name(4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(CN3CCOCC3)c(Cl)c2c1
InChIInChI=1S/C25H23Cl3N4O2/c1-31-15-29-13-22(31)25(33,16-2-5-18(26)6-3-16)17-4-7-21-19(12-17)23(27)20(24(28)30-21)14-32-8-10-34-11-9-32/h2-7,12-13,15,33H,8-11,14H2,1H3
InChIKeyYRKBJRITGFDVIS-UHFFFAOYSA-N
XLogP5.04
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.84
LogP ≤ 55.04
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 (4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (CID 118031352) is (4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(CN3CCOCC3)c(Cl)c2c1.
What is the InChIKey of (4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The InChIKey is YRKBJRITGFDVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N4O2/c1-31-15-29-13-22(31)25(33,16-2-5-18(26)6-3-16)17-4-7-21-19(12-17)23(27)20(24(28)30-21)14-32-8-10-34-11-9-32/h2-7,12-13,15,33H,8-11,14H2,1H3.
What are the key properties of (4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
(4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 517.84 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2,4-dichloro-3-(morpholin-4-ylmethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 118031352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).