(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol

C23H23ClN4O3 — CID 118031345

IUPAC(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCCOc1c(OC)nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c1Cl
InChIInChI=1S/C23H23ClN4O3/c1-5-31-21-20(24)17-10-15(8-9-18(17)27-22(21)30-4)23(29,19-12-25-13-28(19)3)16-7-6-14(2)26-11-16/h6-13,29H,5H2,1-4H3
InChIKeyRYZHQTYDTFHHSU-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.02
Rot. Bonds6

About (4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol

(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 118031345) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is (4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol
PubChem CID118031345
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCCOc1c(OC)nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c1Cl
InChIInChI=1S/C23H23ClN4O3/c1-5-31-21-20(24)17-10-15(8-9-18(17)27-22(21)30-4)23(29,19-12-25-13-28(19)3)16-7-6-14(2)26-11-16/h6-13,29H,5H2,1-4H3
InChIKeyRYZHQTYDTFHHSU-UHFFFAOYSA-N
XLogP4.02
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of (4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol (CID 118031345) is (4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol is CCOc1c(OC)nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c1Cl.
What is the InChIKey of (4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is RYZHQTYDTFHHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-5-31-21-20(24)17-10-15(8-9-18(17)27-22(21)30-4)23(29,19-12-25-13-28(19)3)16-7-6-14(2)26-11-16/h6-13,29H,5H2,1-4H3.
What are the key properties of (4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 438.92 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 118031345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).