8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline

C23H26ClNO — CID 57253961

IUPAC8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline
SMILESCCCCCOc1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cccc12
InChIInChI=1S/C23H26ClNO/c1-5-6-7-11-26-21-14-17(4)25-23-19(21)9-8-10-20(23)22-15(2)12-18(24)13-16(22)3/h8-10,12-14H,5-7,11H2,1-4H3
InChIKeyUXDHAKUDSCJSIP-UHFFFAOYSA-N
MW367.92 g/mol
LogP7.05
Rot. Bonds6

About 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline

8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline (PubChem CID 57253961) has the molecular formula C23H26ClNO and a molecular weight of 367.92 g/mol. Its IUPAC name is 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline.

Molecular Properties

Compound Name8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline
PubChem CID57253961
Molecular FormulaC23H26ClNO
Molecular Weight367.92 g/mol
Exact Mass367.17
IUPAC Name8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline
SMILESCCCCCOc1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cccc12
InChIInChI=1S/C23H26ClNO/c1-5-6-7-11-26-21-14-17(4)25-23-19(21)9-8-10-20(23)22-15(2)12-18(24)13-16(22)3/h8-10,12-14H,5-7,11H2,1-4H3
InChIKeyUXDHAKUDSCJSIP-UHFFFAOYSA-N
XLogP7.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline
CID 91279662
8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline
CID 18461214
2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine
CID 57305017
(4-heptoxyquinolin-2-yl)methanamine
CID 63377719
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine
CID 57208631
1,4-bis[(E)-2-[2,6-bis(2,4,6-trimethylphenyl)phenyl]ethenyl]-2,5-dihexoxybenzene
CID 101402314
5-hexoxy-2-methylquinolin-8-ol
CID 101001926
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
3-(2-methylquinolin-4-yl)oxypropan-1-amine
CID 62349241
4-pentoxyquinolin-2-amine
CID 118174578
8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
CID 2289108
2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide
CID 139782319

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline?
The IUPAC name of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline (CID 57253961) is 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline.
What is the SMILES notation for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline?
The canonical SMILES for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline is CCCCCOc1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cccc12.
What is the InChIKey of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline?
The InChIKey is UXDHAKUDSCJSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO/c1-5-6-7-11-26-21-14-17(4)25-23-19(21)9-8-10-20(23)22-15(2)12-18(24)13-16(22)3/h8-10,12-14H,5-7,11H2,1-4H3.
What are the key properties of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline?
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline has a molecular weight of 367.92 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline is sourced from PubChem (CID 57253961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).