[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol

C28H26ClN5O3 — CID 74223842

IUPAC[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
SMILESCOc1ccc(C(O)(c2ccc3nc(N(C)C)c(Oc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1
InChIInChI=1S/C28H26ClN5O3/c1-33(2)27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(35,23-16-30-17-34(23)3)19-11-13-24(36-4)31-15-19/h5-17,35H,1-4H3
InChIKeyTZZKHOLXWCJBLK-UHFFFAOYSA-N
MW516.00 g/mol
LogP5.17
Rot. Bonds7

About [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol

[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 74223842) has the molecular formula C28H26ClN5O3 and a molecular weight of 516.00 g/mol. Its IUPAC name is [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
PubChem CID74223842
Molecular FormulaC28H26ClN5O3
Molecular Weight516.00 g/mol
Exact Mass515.17
IUPAC Name[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
SMILESCOc1ccc(C(O)(c2ccc3nc(N(C)C)c(Oc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1
InChIInChI=1S/C28H26ClN5O3/c1-33(2)27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(35,23-16-30-17-34(23)3)19-11-13-24(36-4)31-15-19/h5-17,35H,1-4H3
InChIKeyTZZKHOLXWCJBLK-UHFFFAOYSA-N
XLogP5.17
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.00
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol (CID 74223842) is [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol is COc1ccc(C(O)(c2ccc3nc(N(C)C)c(Oc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1.
What is the InChIKey of [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is TZZKHOLXWCJBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O3/c1-33(2)27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(35,23-16-30-17-34(23)3)19-11-13-24(36-4)31-15-19/h5-17,35H,1-4H3.
What are the key properties of [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 516.00 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 74223842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).