(4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol

C26H22ClN5O — CID 118321846

IUPAC(4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol
SMILESCN(C)c1cc(C(O)(c2ccc3ncc(-c4ccccc4)c(Cl)c3c2)c2ncc[nH]2)ccn1
InChIInChI=1S/C26H22ClN5O/c1-32(2)23-15-19(10-11-28-23)26(33,25-29-12-13-30-25)18-8-9-22-20(14-18)24(27)21(16-31-22)17-6-4-3-5-7-17/h3-16,33H,1-2H3,(H,29,30)
InChIKeyNWOUGDLKBCHORE-UHFFFAOYSA-N
MW455.95 g/mol
LogP5.02
Rot. Bonds5

About (4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol

(4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol (PubChem CID 118321846) has the molecular formula C26H22ClN5O and a molecular weight of 455.95 g/mol. Its IUPAC name is (4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol
PubChem CID118321846
Molecular FormulaC26H22ClN5O
Molecular Weight455.95 g/mol
Exact Mass455.15
IUPAC Name(4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol
SMILESCN(C)c1cc(C(O)(c2ccc3ncc(-c4ccccc4)c(Cl)c3c2)c2ncc[nH]2)ccn1
InChIInChI=1S/C26H22ClN5O/c1-32(2)23-15-19(10-11-28-23)26(33,25-29-12-13-30-25)18-8-9-22-20(14-18)24(27)21(16-31-22)17-6-4-3-5-7-17/h3-16,33H,1-2H3,(H,29,30)
InChIKeyNWOUGDLKBCHORE-UHFFFAOYSA-N
XLogP5.02
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.95
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol?
The IUPAC name of (4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol (CID 118321846) is (4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol.
What is the SMILES notation for (4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol?
The canonical SMILES for (4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol is CN(C)c1cc(C(O)(c2ccc3ncc(-c4ccccc4)c(Cl)c3c2)c2ncc[nH]2)ccn1.
What is the InChIKey of (4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol?
The InChIKey is NWOUGDLKBCHORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O/c1-32(2)23-15-19(10-11-28-23)26(33,25-29-12-13-30-25)18-8-9-22-20(14-18)24(27)21(16-31-22)17-6-4-3-5-7-17/h3-16,33H,1-2H3,(H,29,30).
What are the key properties of (4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol?
(4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol has a molecular weight of 455.95 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-phenylquinolin-6-yl)-[2-(dimethylamino)-4-pyridinyl]-(1H-imidazol-2-yl)methanol is sourced from PubChem (CID 118321846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).