[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol

C25H21ClN4O2S — CID 74220815

IUPAC[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol
SMILESCOc1ccc(Cc2cc3cc(C(O)(c4cncs4)c4cncn4C)ccc3nc2Cl)cc1
InChIInChI=1S/C25H21ClN4O2S/c1-30-14-27-12-22(30)25(31,23-13-28-15-33-23)19-5-8-21-17(11-19)10-18(24(26)29-21)9-16-3-6-20(32-2)7-4-16/h3-8,10-15,31H,9H2,1-2H3
InChIKeyQTXZNSNYEMLLNM-UHFFFAOYSA-N
MW476.99 g/mol
LogP4.96
Rot. Bonds6

About [2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol

[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol (PubChem CID 74220815) has the molecular formula C25H21ClN4O2S and a molecular weight of 476.99 g/mol. Its IUPAC name is [2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol
PubChem CID74220815
Molecular FormulaC25H21ClN4O2S
Molecular Weight476.99 g/mol
Exact Mass476.11
IUPAC Name[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol
SMILESCOc1ccc(Cc2cc3cc(C(O)(c4cncs4)c4cncn4C)ccc3nc2Cl)cc1
InChIInChI=1S/C25H21ClN4O2S/c1-30-14-27-12-22(30)25(31,23-13-28-15-33-23)19-5-8-21-17(11-19)10-18(24(26)29-21)9-16-3-6-20(32-2)7-4-16/h3-8,10-15,31H,9H2,1-2H3
InChIKeyQTXZNSNYEMLLNM-UHFFFAOYSA-N
XLogP4.96
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-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 [2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol?
The IUPAC name of [2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol (CID 74220815) is [2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for [2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol?
The canonical SMILES for [2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol is COc1ccc(Cc2cc3cc(C(O)(c4cncs4)c4cncn4C)ccc3nc2Cl)cc1.
What is the InChIKey of [2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol?
The InChIKey is QTXZNSNYEMLLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2S/c1-30-14-27-12-22(30)25(31,23-13-28-15-33-23)19-5-8-21-17(11-19)10-18(24(26)29-21)9-16-3-6-20(32-2)7-4-16/h3-8,10-15,31H,9H2,1-2H3.
What are the key properties of [2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol?
[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol has a molecular weight of 476.99 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 74220815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).