7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride

C20H17Cl2NO2 — CID 46779468

IUPAC7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride
SMILESCc1c(Cl)ccc2c(C(=O)Cl)cc(-c3cccc(OC(C)C)c3)nc12
InChIInChI=1S/C20H17Cl2NO2/c1-11(2)25-14-6-4-5-13(9-14)18-10-16(20(22)24)15-7-8-17(21)12(3)19(15)23-18/h4-11H,1-3H3
InChIKeyIRCRGROLOGYWHJ-UHFFFAOYSA-N
MW374.27 g/mol
LogP6.03
Rot. Bonds4

About 7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride

7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride (PubChem CID 46779468) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride
PubChem CID46779468
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride
SMILESCc1c(Cl)ccc2c(C(=O)Cl)cc(-c3cccc(OC(C)C)c3)nc12
InChIInChI=1S/C20H17Cl2NO2/c1-11(2)25-14-6-4-5-13(9-14)18-10-16(20(22)24)15-7-8-17(21)12(3)19(15)23-18/h4-11H,1-3H3
InChIKeyIRCRGROLOGYWHJ-UHFFFAOYSA-N
XLogP6.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride?
The IUPAC name of 7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride (CID 46779468) is 7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride?
The canonical SMILES for 7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride is Cc1c(Cl)ccc2c(C(=O)Cl)cc(-c3cccc(OC(C)C)c3)nc12.
What is the InChIKey of 7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride?
The InChIKey is IRCRGROLOGYWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-11(2)25-14-6-4-5-13(9-14)18-10-16(20(22)24)15-7-8-17(21)12(3)19(15)23-18/h4-11H,1-3H3.
What are the key properties of 7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride?
7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride has a molecular weight of 374.27 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).