(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol

C26H21ClN4O2 — CID 74222308

IUPAC(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
SMILESCOc1nc2ccc(C(O)(c3ccncc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1
InChIInChI=1S/C26H21ClN4O2/c1-31-16-29-15-22(31)26(32,18-10-12-28-13-11-18)19-8-9-21-20(14-19)24(27)23(25(30-21)33-2)17-6-4-3-5-7-17/h3-16,32H,1-2H3
InChIKeyMMOVBTIGKWSKNZ-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.98
Rot. Bonds5

About (4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol

(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol (PubChem CID 74222308) has the molecular formula C26H21ClN4O2 and a molecular weight of 456.93 g/mol. Its IUPAC name is (4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Name(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
PubChem CID74222308
Molecular FormulaC26H21ClN4O2
Molecular Weight456.93 g/mol
Exact Mass456.14
IUPAC Name(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
SMILESCOc1nc2ccc(C(O)(c3ccncc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1
InChIInChI=1S/C26H21ClN4O2/c1-31-16-29-15-22(31)26(32,18-10-12-28-13-11-18)19-8-9-21-20(14-19)24(27)23(25(30-21)33-2)17-6-4-3-5-7-17/h3-16,32H,1-2H3
InChIKeyMMOVBTIGKWSKNZ-UHFFFAOYSA-N
XLogP4.98
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol?
The IUPAC name of (4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol (CID 74222308) is (4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol.
What is the SMILES notation for (4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol?
The canonical SMILES for (4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol is COc1nc2ccc(C(O)(c3ccncc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.
What is the InChIKey of (4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol?
The InChIKey is MMOVBTIGKWSKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O2/c1-31-16-29-15-22(31)26(32,18-10-12-28-13-11-18)19-8-9-21-20(14-19)24(27)23(25(30-21)33-2)17-6-4-3-5-7-17/h3-16,32H,1-2H3.
What are the key properties of (4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol?
(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol has a molecular weight of 456.93 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol is sourced from PubChem (CID 74222308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).