[2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol

C27H24ClN5O — CID 74221961

IUPAC[2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol
SMILESCN(C)c1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3ccncc3)c3nccn3C)cc12
InChIInChI=1S/C27H24ClN5O/c1-32(2)24-21-17-20(9-10-22(21)31-25(28)23(24)18-7-5-4-6-8-18)27(34,19-11-13-29-14-12-19)26-30-15-16-33(26)3/h4-17,34H,1-3H3
InChIKeyIEZADARKDZGFIJ-UHFFFAOYSA-N
MW469.98 g/mol
LogP5.03
Rot. Bonds5

About [2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol

[2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol (PubChem CID 74221961) has the molecular formula C27H24ClN5O and a molecular weight of 469.98 g/mol. Its IUPAC name is [2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Name[2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol
PubChem CID74221961
Molecular FormulaC27H24ClN5O
Molecular Weight469.98 g/mol
Exact Mass469.17
IUPAC Name[2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol
SMILESCN(C)c1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3ccncc3)c3nccn3C)cc12
InChIInChI=1S/C27H24ClN5O/c1-32(2)24-21-17-20(9-10-22(21)31-25(28)23(24)18-7-5-4-6-8-18)27(34,19-11-13-29-14-12-19)26-30-15-16-33(26)3/h4-17,34H,1-3H3
InChIKeyIEZADARKDZGFIJ-UHFFFAOYSA-N
XLogP5.03
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.98
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol 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 [2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol?
The IUPAC name of [2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol (CID 74221961) is [2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol.
What is the SMILES notation for [2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol?
The canonical SMILES for [2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol is CN(C)c1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3ccncc3)c3nccn3C)cc12.
What is the InChIKey of [2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol?
The InChIKey is IEZADARKDZGFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O/c1-32(2)24-21-17-20(9-10-22(21)31-25(28)23(24)18-7-5-4-6-8-18)27(34,19-11-13-29-14-12-19)26-30-15-16-33(26)3/h4-17,34H,1-3H3.
What are the key properties of [2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol?
[2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol has a molecular weight of 469.98 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol is sourced from PubChem (CID 74221961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).